diff --git a/day_2/ace/df3_cut75_large_body_order.ace b/day_2/ace/df3_cut75_large_body_order.ace
new file mode 100644
index 0000000000000000000000000000000000000000..c72c207cf1fcc4d04781b51defd9f284977b2302
--- /dev/null
+++ b/day_2/ace/df3_cut75_large_body_order.ace
@@ -0,0 +1,1869 @@
+nelements=1
+elements: Cu
+
+lmax=4
+
+embedding-function: FinnisSinclairShiftedScaled
+4 FS parameters:  1.000000 1.000000 1.000000 0.500000
+core energy-cutoff parameters: 100000.000000000000000000 250.000000000000000000
+E0: 0.000000000000000000
+
+radbasename=ChebExpCos
+nradbase=15
+nradmax=4
+cutoffmax=7.500000
+deltaSplineBins=0.001000
+core repulsion parameters: 0.000000000000000000 0.000000000000000000
+radparameter= 5.250000000000000000
+cutoff= 7.500000000000000000
+dcut= 0.010000000000000000
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+total_basis_size: 193 
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+ctilde_basis_func: rank=4 ndens=2 mu0=0 mu=( 0  0  0  0 )
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+ctilde_basis_func: rank=5 ndens=2 mu0=0 mu=( 0  0  0  0  0 )
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+ctilde_basis_func: rank=5 ndens=2 mu0=0 mu=( 0  0  0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
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+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
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+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  1 )
+l=( 4  4 )
+num_ms=5
+< 0  0 >:  0.001492487446917673  -0.346053028908770377 
+< 1  -1 >:  -0.002984974893835344  0.692106057817540532 
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+< 3  -3 >:  -0.002984974893835344  0.692106057817540532 
+< 4  -4 >:  0.002984974893835345  -0.692106057817540643 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  1 )
+l=( 0  0  0 )
+num_ms=1
+< 0  0  0 >:  -0.003271006539950181  0.063853650779387636 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  1 )
+l=( 1  1  0 )
+num_ms=2
+< 0  0  0 >:  -0.002749071321579415  0.072905071821198555 
+< 1  -1  0 >:  0.005498142643158828  -0.145810143642397083 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  1 )
+l=( 2  2  0 )
+num_ms=3
+< 0  0  0 >:  0.001456558975345148  -0.037245249462308623 
+< 1  -1  0 >:  -0.002913117950690296  0.074490498924617260 
+< 2  -2  0 >:  0.002913117950690297  -0.074490498924617274 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  1 )
+l=( 3  2  1 )
+num_ms=8
+< 0  0  0 >:  -0.000574314672076401  0.013833188378581966 
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+< 3  -2  -1 >:  0.001482874106956316  -0.035717138810131943 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  1 )
+l=( 3  3  0 )
+num_ms=4
+< 0  0  0 >:  -0.000675726857859432  -0.015465691874571932 
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+< 3  -3  0 >:  0.001351453715718865  0.030931383749143861 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  2 )
+l=( 1  1  0 )
+num_ms=2
+< 0  0  0 >:  0.005338417543858241  0.077494539144904798 
+< 1  -1  0 >:  -0.010676835087716481  -0.154989078289809568 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  2 )
+l=( 2  2  0 )
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+< 0  0  0 >:  0.001051676052172095  -0.001099865103609807 
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+< 2  -2  0 >:  0.002103352104344191  -0.002199730207219616 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  2 )
+l=( 3  2  1 )
+num_ms=8
+< 0  0  0 >:  -0.000043426115527526  -0.001661841240818127 
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+< 3  -2  -1 >:  0.000112125748152392  0.004290855633152848 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  2 )
+l=( 3  3  0 )
+num_ms=4
+< 0  0  0 >:  0.000220350236569185  -0.013565806415355189 
+< 1  -1  0 >:  -0.000440700473138369  0.027131612830710378 
+< 2  -2  0 >:  0.000440700473138369  -0.027131612830710375 
+< 3  -3  0 >:  -0.000440700473138369  0.027131612830710375 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  3 )
+l=( 1  1  0 )
+num_ms=2
+< 0  0  0 >:  0.001686295578247772  -0.123571988442398181 
+< 1  -1  0 >:  -0.003372591156495543  0.247143976884796307 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  3 )
+l=( 2  2  0 )
+num_ms=3
+< 0  0  0 >:  -0.002265553333923670  0.050629716872756324 
+< 1  -1  0 >:  0.004531106667847341  -0.101259433745512661 
+< 2  -2  0 >:  -0.004531106667847342  0.101259433745512689 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  3 )
+l=( 3  2  1 )
+num_ms=8
+< 0  0  0 >:  0.001462738030841958  0.155727335289721186 
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+< 1  -2  1 >:  -0.000975158687227972  -0.103818223526480749 
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+< 3  -2  -1 >:  -0.003776773355543422  -0.402086250750899044 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  1  3 )
+l=( 3  3  0 )
+num_ms=4
+< 0  0  0 >:  0.000836727968357379  0.017380652048905040 
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+< 3  -3  0 >:  -0.001673455936714758  -0.034761304097810079 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  2 )
+l=( 0  0 )
+num_ms=1
+< 0  0 >:  -0.027009667874696625  -1.098626400792085844 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  2 )
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+< 0  0 >:  0.013268965152623314  -0.144262297611252699 
+< 1  -1 >:  -0.026537930305246621  0.288524595222505342 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  2 )
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+num_ms=3
+< 0  0 >:  0.059865693685720499  -0.040770354659037313 
+< 1  -1 >:  -0.119731387371441012  0.081540709318074639 
+< 2  -2 >:  0.119731387371441039  -0.081540709318074667 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  2 )
+l=( 3  3 )
+num_ms=4
+< 0  0 >:  0.027705397592629223  0.539931863777107890 
+< 1  -1 >:  -0.055410795185258446  -1.079863727554215780 
+< 2  -2 >:  0.055410795185258439  1.079863727554215780 
+< 3  -3 >:  -0.055410795185258439  -1.079863727554215780 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  2 )
+l=( 4  4 )
+num_ms=5
+< 0  0 >:  -0.001331410783787695  -0.211273272323003747 
+< 1  -1 >:  0.002662821567575389  0.422546544646007327 
+< 2  -2 >:  -0.002662821567575389  -0.422546544646007327 
+< 3  -3 >:  0.002662821567575389  0.422546544646007327 
+< 4  -4 >:  -0.002662821567575389  -0.422546544646007383 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 0  0  0 )
+num_ms=1
+< 0  0  0 >:  0.000339324464643881  -0.066303175730588512 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 1  1  0 )
+num_ms=2
+< 0  0  0 >:  -0.002833784107130122  0.080953988453331141 
+< 1  -1  0 >:  0.005667568214260244  -0.161907976906662254 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 2  1  1 )
+num_ms=5
+< 0  0  0 >:  0.000261957827138686  0.000857182071086969 
+< 0  1  -1 >:  0.000261957827138686  0.000857182071086969 
+< 1  -1  0 >:  -0.000453724266044550  -0.001484682898459747 
+< 1  0  -1 >:  -0.000453724266044550  -0.001484682898459747 
+< 2  -1  -1 >:  0.000641663010617980  0.002099658690825171 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 2  2  0 )
+num_ms=3
+< 0  0  0 >:  -0.002689325532705023  0.022661524972174194 
+< 1  -1  0 >:  0.005378651065410046  -0.045323049944348388 
+< 2  -2  0 >:  -0.005378651065410047  0.045323049944348402 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 2  2  2 )
+num_ms=10
+< 0  0  0 >:  -0.000076510162120598  0.000230740381093098 
+< 0  1  -1 >:  0.000076510162120598  -0.000230740381093098 
+< 0  2  -2 >:  0.000153020324241195  -0.000461480762186196 
+< 1  -2  1 >:  -0.000187410857333082  0.000565196196733425 
+< 1  -1  0 >:  0.000076510162120598  -0.000230740381093098 
+< 1  0  -1 >:  0.000076510162120598  -0.000230740381093098 
+< 1  1  -2 >:  -0.000187410857333082  0.000565196196733425 
+< 2  -2  0 >:  0.000153020324241195  -0.000461480762186196 
+< 2  -1  -1 >:  -0.000187410857333082  0.000565196196733425 
+< 2  0  -2 >:  0.000153020324241195  -0.000461480762186196 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 3  2  1 )
+num_ms=8
+< 0  0  0 >:  0.000500302093609393  -0.018907057578437150 
+< 0  1  -1 >:  0.000577699096843032  -0.021831989564988875 
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+< 3  -2  -1 >:  -0.001291774451081255  0.048817812751381195 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  1 )
+l=( 3  3  0 )
+num_ms=4
+< 0  0  0 >:  0.000679764371740190  -0.082572762257100599 
+< 1  -1  0 >:  -0.001359528743480381  0.165145524514201197 
+< 2  -2  0 >:  0.001359528743480381  -0.165145524514201170 
+< 3  -3  0 >:  -0.001359528743480381  0.165145524514201170 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  2 )
+l=( 0  0  0 )
+num_ms=1
+< 0  0  0 >:  0.000517667203551012  0.053021555943422997 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  2 )
+l=( 1  1  0 )
+num_ms=2
+< 0  0  0 >:  0.000893197643225373  -0.028898781795074008 
+< 1  -1  0 >:  -0.001786395286450745  0.057797563590148003 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  2 )
+l=( 2  2  0 )
+num_ms=3
+< 0  0  0 >:  -0.001775683970863937  -0.146043153185396152 
+< 1  -1  0 >:  0.003551367941727874  0.292086306370792359 
+< 2  -2  0 >:  -0.003551367941727875  -0.292086306370792415 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  2 )
+l=( 3  2  1 )
+num_ms=8
+< 0  0  0 >:  0.000191121412682943  -0.002337803988527845 
+< 0  1  -1 >:  0.000220687998120797  -0.002699463524178263 
+< 1  -2  1 >:  -0.000127414275121962  0.001558535992351896 
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+< 2  -2  0 >:  0.000284906980476567  -0.003484992424278932 
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+< 3  -2  -1 >:  -0.000493473365616448  0.006036183942843744 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  2 )
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+num_ms=4
+< 0  0  0 >:  -0.000128867375909514  -0.095535916644952951 
+< 1  -1  0 >:  0.000257734751819028  0.191071833289905901 
+< 2  -2  0 >:  -0.000257734751819028  -0.191071833289905874 
+< 3  -3  0 >:  0.000257734751819028  0.191071833289905874 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  3 )
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+< 0  0  0 >:  0.003352322406970286  -0.095917920900287515 
+< 1  -1  0 >:  -0.006704644813940571  0.191835841800575002 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  3 )
+l=( 2  2  0 )
+num_ms=3
+< 0  0  0 >:  0.003543058285027990  -0.101985529912783243 
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+< 2  -2  0 >:  0.007086116570055982  -0.203971059825566542 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  3 )
+l=( 3  2  1 )
+num_ms=8
+< 0  0  0 >:  -0.003652641059585693  -0.102128052512353046 
+< 0  1  -1 >:  -0.004217706598009758  -0.117927317219638492 
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+< 3  -2  -1 >:  0.009431078662299201  0.263693497707293223 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  2  3 )
+l=( 3  3  0 )
+num_ms=4
+< 0  0  0 >:  -0.001034715830293847  0.074393156786350209 
+< 1  -1  0 >:  0.002069431660587694  -0.148786313572700418 
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+< 3  -3  0 >:  0.002069431660587694  -0.148786313572700418 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  3 )
+l=( 0  0 )
+num_ms=1
+< 0  0 >:  -0.046156745977514950  0.699549277537182990 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  3 )
+l=( 1  1 )
+num_ms=2
+< 0  0 >:  -0.351233309258084325  -0.328175280496923683 
+< 1  -1 >:  0.702466618516168428  0.656350560993847254 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  3 )
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+< 0  0 >:  -0.192027990789748998  0.097651574052999124 
+< 1  -1 >:  0.384055981579498051  -0.195303148105998275 
+< 2  -2 >:  -0.384055981579498107  0.195303148105998331 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  3 )
+l=( 3  3 )
+num_ms=4
+< 0  0 >:  0.010343986044477267  -0.028951637350757214 
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+< 2  -2 >:  0.020687972088954530  -0.057903274701514414 
+< 3  -3 >:  -0.020687972088954530  0.057903274701514414 
+ctilde_basis_func: rank=2 ndens=2 mu0=0 mu=( 0  0 )
+n=( 3  3 )
+l=( 4  4 )
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+< 0  0 >:  0.265203079908295503  0.215780063014322315 
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+< 2  -2 >:  0.530406159816590783  0.431560126028644464 
+< 3  -3 >:  -0.530406159816590783  -0.431560126028644464 
+< 4  -4 >:  0.530406159816590894  0.431560126028644575 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  3  1 )
+l=( 0  0  0 )
+num_ms=1
+< 0  0  0 >:  0.005070497289194637  -0.118500184885956816 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  3  1 )
+l=( 1  1  0 )
+num_ms=2
+< 0  0  0 >:  0.014953139533731633  -0.166531666909214143 
+< 1  -1  0 >:  -0.029906279067463262  0.333063333818428231 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  3  1 )
+l=( 2  1  1 )
+num_ms=5
+< 0  0  0 >:  -0.001466280784555740  0.055906414926194026 
+< 0  1  -1 >:  -0.001466280784555739  0.055906414926194019 
+< 1  -1  0 >:  0.002539672817012496  -0.096832751121195104 
+< 1  0  -1 >:  0.002539672817012496  -0.096832751121195104 
+< 2  -1  -1 >:  -0.003591639741809355  0.136942189917492629 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  3  1 )
+l=( 2  2  0 )
+num_ms=3
+< 0  0  0 >:  0.004904473650946498  -0.121773088554788106 
+< 1  -1  0 >:  -0.009808947301892997  0.243546177109576240 
+< 2  -2  0 >:  0.009808947301892999  -0.243546177109576295 
+ctilde_basis_func: rank=3 ndens=2 mu0=0 mu=( 0  0  0 )
+n=( 3  3  1 )
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diff --git a/day_2/ace/df3_cut75_large_body_order.yaml b/day_2/ace/df3_cut75_large_body_order.yaml
new file mode 100644
index 0000000000000000000000000000000000000000..79fd27b0141f545bb9292e608f7fbca78a56844e
--- /dev/null
+++ b/day_2/ace/df3_cut75_large_body_order.yaml
@@ -0,0 +1,232 @@
+metadata:
+  _loss: 0.00035449292664447836
+  intermediate_time: 2021-02-24 10:34:26.624539
+  pyiron_job_id: 834965
+global:
+  DeltaSplineBins: 0.001
+species:
+  - speciesblock: Cu
+    nradmaxi: 4
+    lmaxi: 4
+    ndensityi: 2
+    npoti: FinnisSinclairShiftedScaled
+    parameters: [1, 1, 1, 0.5]
+    rcutij: 7.5
+    dcutij: 0.01
+    NameOfCutoffFunctionij: cos
+    nradbaseij: 15
+    radbase: ChebExpCos
+    radparameters: [5.25]
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diff --git a/day_2/ace/pacemaker-fit-tutorial.ipynb b/day_2/ace/pacemaker-fit-tutorial.ipynb
new file mode 100644
index 0000000000000000000000000000000000000000..edc0ed65462b3c24d0d8dac6f34f81a9c8745ed6
--- /dev/null
+++ b/day_2/ace/pacemaker-fit-tutorial.ipynb
@@ -0,0 +1,13424 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Populating the interactive namespace from numpy and matplotlib\n"
+     ]
+    }
+   ],
+   "source": [
+    "%pylab inline"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from pyiron import Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_pr = Project(\"import_database\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>id</th>\n",
+       "      <th>status</th>\n",
+       "      <th>chemicalformula</th>\n",
+       "      <th>job</th>\n",
+       "      <th>subjob</th>\n",
+       "      <th>projectpath</th>\n",
+       "      <th>project</th>\n",
+       "      <th>timestart</th>\n",
+       "      <th>timestop</th>\n",
+       "      <th>totalcputime</th>\n",
+       "      <th>computer</th>\n",
+       "      <th>hamilton</th>\n",
+       "      <th>hamversion</th>\n",
+       "      <th>parentid</th>\n",
+       "      <th>masterid</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>21</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>None</td>\n",
+       "      <td>df1_A1_A2_A3_EV_elast_phon</td>\n",
+       "      <td>/df1_A1_A2_A3_EV_elast_phon</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/import_database/Cu_database/</td>\n",
+       "      <td>2021-02-08 10:33:52.341472</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>zora@cmti001#1</td>\n",
+       "      <td>GenericJob</td>\n",
+       "      <td>0.4</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>22</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>None</td>\n",
+       "      <td>df3_10k</td>\n",
+       "      <td>/df3_10k</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/import_database/Cu_database/</td>\n",
+       "      <td>2021-02-08 10:33:53.993230</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>zora@cmti001#1</td>\n",
+       "      <td>GenericJob</td>\n",
+       "      <td>0.4</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>23</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>None</td>\n",
+       "      <td>df2_1k</td>\n",
+       "      <td>/df2_1k</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/import_database/Cu_database/</td>\n",
+       "      <td>2021-02-08 10:33:54.435308</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "      <td>zora@cmti001#1</td>\n",
+       "      <td>GenericJob</td>\n",
+       "      <td>0.4</td>\n",
+       "      <td>None</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "   id    status chemicalformula                         job  \\\n",
+       "0  21  finished            None  df1_A1_A2_A3_EV_elast_phon   \n",
+       "1  22  finished            None                     df3_10k   \n",
+       "2  23  finished            None                      df2_1k   \n",
+       "\n",
+       "                        subjob                  projectpath  \\\n",
+       "0  /df1_A1_A2_A3_EV_elast_phon  /home/yury/pyiron/projects/   \n",
+       "1                     /df3_10k  /home/yury/pyiron/projects/   \n",
+       "2                      /df2_1k  /home/yury/pyiron/projects/   \n",
+       "\n",
+       "                                    project                  timestart  \\\n",
+       "0  pyiron-2021/import_database/Cu_database/ 2021-02-08 10:33:52.341472   \n",
+       "1  pyiron-2021/import_database/Cu_database/ 2021-02-08 10:33:53.993230   \n",
+       "2  pyiron-2021/import_database/Cu_database/ 2021-02-08 10:33:54.435308   \n",
+       "\n",
+       "  timestop totalcputime        computer    hamilton hamversion parentid  \\\n",
+       "0     None         None  zora@cmti001#1  GenericJob        0.4     None   \n",
+       "1     None         None  zora@cmti001#1  GenericJob        0.4     None   \n",
+       "2     None         None  zora@cmti001#1  GenericJob        0.4     None   \n",
+       "\n",
+       "  masterid  \n",
+       "0     None  \n",
+       "1     None  \n",
+       "2     None  "
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "data_pr.job_table()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_job = data_pr.load('df1_A1_A2_A3_EV_elast_phon')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Fitting project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from pyiron_gpl.pacemaker.pacemaker import PaceMakerJob"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "fit_pr = Project(\"pacemaker_fit\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 65,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#fit_pr.remove_jobs_silently()#"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 66,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "job = fit_pr.create_job(job_type=PaceMakerJob, job_name=\"df1_cut5\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Fit"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 67,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "cutoff = 5.0"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 68,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "job.input[\"potential\"]= {\n",
+    "    \"deltaSplineBins\": 0.001,\n",
+    "    \"element\": \"Cu\",\n",
+    "    \"fs_parameters\": [1, 1, 1, 0.5],\n",
+    "    \"npot\": \"FinnisSinclairShiftedScaled\",\n",
+    "    \"NameOfCutoffFunction\": \"cos\",\n",
+    "    \"rankmax\": 3,\n",
+    "    \"nradmax\": [15,2,1],\n",
+    "    \"lmax\": [0,2,1],\n",
+    "    \"ndensity\": 2,\n",
+    "    \"rcut\": 5,\n",
+    "    \"dcut\": 0.01,\n",
+    "    \"radparameters\": [5.25],\n",
+    "    \"radbase\": \"ChebExpCos\",\n",
+    "}"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 69,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "job.input[\"fit\"]= {    \n",
+    "    'optimizer': 'BFGS', \n",
+    "    'maxiter': 250,\n",
+    "    'loss': {\n",
+    "        'kappa': 0.5,\n",
+    "        'L1_coeffs': 5e-10,\n",
+    "        'L2_coeffs': 5e-10,\n",
+    "        'w1_coeffs': 1,\n",
+    "        'w2_coeffs': 1,\n",
+    "        'w0_rad': 1e-7,\n",
+    "        'w1_rad': 1e-7,\n",
+    "        'w2_rad': 1e-7,\n",
+    "    },\n",
+    "}"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 70,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "job.input[\"cutoff\"] = cutoff\n",
+    "job.input[\"backend\"][\"batch_size\"] = 1000"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 71,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "job.structure_data=data_job"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 72,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Parameter</th>\n",
+       "      <th>Value</th>\n",
+       "      <th>Comment</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>cutoff</td>\n",
+       "      <td>5.0</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>metadata</td>\n",
+       "      <td>{}</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>data</td>\n",
+       "      <td>{}</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>potential</td>\n",
+       "      <td>{'deltaSplineBins': 0.001, 'element': 'Cu', 'fs_parameters': [1, 1, 1, 0.5], 'npot': 'FinnisSinclairShiftedScaled', 'NameOfCutoffFunction': 'cos', 'rankmax': 3, 'nradmax': [15, 2, 1], 'lmax': [0, ...</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>fit</td>\n",
+       "      <td>{'optimizer': 'BFGS', 'maxiter': 250, 'loss': {'kappa': 0.5, 'L1_coeffs': 5e-10, 'L2_coeffs': 5e-10, 'w1_coeffs': 1, 'w2_coeffs': 1, 'w0_rad': 1e-07, 'w1_rad': 1e-07, 'w2_rad': 1e-07}}</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>backend</td>\n",
+       "      <td>{'evaluator': 'tensorpot', 'batch_size': 1000}</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "   Parameter  \\\n",
+       "0     cutoff   \n",
+       "1   metadata   \n",
+       "2       data   \n",
+       "3  potential   \n",
+       "4        fit   \n",
+       "5    backend   \n",
+       "\n",
+       "                                                                                                                                                                                                     Value  \\\n",
+       "0                                                                                                                                                                                                      5.0   \n",
+       "1                                                                                                                                                                                                       {}   \n",
+       "2                                                                                                                                                                                                       {}   \n",
+       "3  {'deltaSplineBins': 0.001, 'element': 'Cu', 'fs_parameters': [1, 1, 1, 0.5], 'npot': 'FinnisSinclairShiftedScaled', 'NameOfCutoffFunction': 'cos', 'rankmax': 3, 'nradmax': [15, 2, 1], 'lmax': [0, ...   \n",
+       "4                 {'optimizer': 'BFGS', 'maxiter': 250, 'loss': {'kappa': 0.5, 'L1_coeffs': 5e-10, 'L2_coeffs': 5e-10, 'w1_coeffs': 1, 'w2_coeffs': 1, 'w0_rad': 1e-07, 'w1_rad': 1e-07, 'w2_rad': 1e-07}}   \n",
+       "5                                                                                                                                                           {'evaluator': 'tensorpot', 'batch_size': 1000}   \n",
+       "\n",
+       "  Comment  \n",
+       "0          \n",
+       "1          \n",
+       "2          \n",
+       "3          \n",
+       "4          \n",
+       "5          "
+      ]
+     },
+     "execution_count": 72,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "job.input"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 73,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "['tf', 'tf_cpu']"
+      ]
+     },
+     "execution_count": 73,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "job.executable.available_versions"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 74,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "job.executable=\"tf_cpu\""
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 75,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:53:21,474 - root - INFO - structure_data is TrainingContainer\n",
+      "2021-02-26 12:53:21,478 - root - INFO - Saving training structures dataframe into /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip with pickle protocol = 4, compression = gzip\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job df1_cut5 was saved and received the ID: 80\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:53:21,838 - pyiron_log - INFO - job: df1_cut5 id: 80, status: submitted, run job (modal)\n",
+      "2021-02-26 12:53:21,838 - pyiron_log - INFO - job: df1_cut5 id: 80, status: submitted, run job (modal)\n",
+      "2021-02-26 12:54:34,530 - pyiron_log - INFO - job: df1_cut5 id: 80, status: collect, output: \n",
+      "CommandNotFoundError: Your shell has not been properly configured to use 'conda activate'.\n",
+      "To initialize your shell, run\n",
+      "\n",
+      "    $ conda init <SHELL_NAME>\n",
+      "\n",
+      "Currently supported shells are:\n",
+      "  - bash\n",
+      "  - fish\n",
+      "  - tcsh\n",
+      "  - xonsh\n",
+      "  - zsh\n",
+      "  - powershell\n",
+      "\n",
+      "See 'conda init --help' for more information and options.\n",
+      "\n",
+      "IMPORTANT: You may need to close and restart your shell after running 'conda init'.\n",
+      "\n",
+      "\n",
+      "2021-02-26 12:53:25,934 - root - INFO - Redirecting log into file log.txt\n",
+      "2021-02-26 12:53:25,934 - root - INFO - Start pacemaker\n",
+      "2021-02-26 12:53:25,935 - root - INFO - Loading input.yaml... \n",
+      "2021-02-26 12:53:25,943 - root - WARNING - No 'seed' provided in YAML file, default value seed = 42 will be used.\n",
+      "2021-02-26 12:53:25,943 - root - INFO - Using default BBasis functions list from /home/yury/anaconda3/lib/python3.7/site-packages/pyace-0.0.1-py3.7-linux-x86_64.egg/pyace/pyace_selected_bbasis_funcspec.pckl.gzip\n",
+      "2021-02-26 12:53:25,943 - pyace.generalfit - INFO - Set numpy random seed to 42\n",
+      "2021-02-26 12:53:26,368 - numexpr.utils - INFO - NumExpr defaulting to 8 threads.\n",
+      "2021-02-26 12:53:26,501 - pyace.generalfit - INFO - Target potential shape constructed from dictionary, it contains 26 functions\n",
+      "2021-02-26 12:53:26,502 - pyace.generalfit - INFO - User name automatically identified: yury\n",
+      "2021-02-26 12:53:27,784 - pyace.preparedata - INFO - Search for cache ref-file: /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:27,784 - pyace.preparedata - INFO - /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip found, try to load\n",
+      "2021-02-26 12:53:27,784 - pyace.preparedata - INFO - Loading dataframe from pickle file: /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Setting up structures dataframe - please be patient...\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Processing structures dataframe. Shape: (105, 6)\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Total number of atoms: 368\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Mean number of atoms per structure: 3.5047619047619047\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - 'energy' columns found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'forces' columns found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'pbc' columns found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'cell' column found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'energy_corrected' column found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'energy_corrected_per_atom' column extraction\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Min energy per atom: -3.699842546498985\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Max energy per atom: -3.4944269131010515\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Min abs energy per atom: 3.4944269131010515\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Max abs energy per atom: 3.699842546498985\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - ASE atoms ('ase_atoms' column) are already in dataframe\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Atomic environment representation construction...\n",
+      "2021-02-26 12:53:27,792 - pyace.preparedata - INFO - Building 'tp_atoms'...\n",
+      "2021-02-26 12:53:27,792 - pyace.preparedata - INFO - Dataframe size before transform: 105\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Dataframe size after transform: 105\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Atomic environment representation construction...done within 2.933393716812134 sec (7.971178578293842 ms/atom)\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Saving processed raw dataframe into /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Writing fit pickle file: /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:30,824 - pyace.preparedata - INFO - Saved to file /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:30,824 - pyace.preparedata - INFO - No weighting policy is specified, setting default weighting policy\n",
+      "2021-02-26 12:53:30,824 - pyace.preparedata - INFO - Apply weights policy: UniformWeightingPolicy()\n",
+      "2021-02-26 12:53:30,847 - pyace.generalfit - INFO - Fitting dataset info saved into fitting_data_info.csv\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Fitting dataset size: 105 structures / 368 atoms\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - 'Single-shot' fitting\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Cycle fitting loop\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Number of fit attempts: 1/1\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Total number of functions: 26 / number of parameters: 142\n",
+      "2021-02-26 12:53:30,901 - pyace.generalfit - INFO - Running fit backend\n",
+      "2021-02-26 12:53:30,938 - pyace.fitadapter - INFO - Loss function specification: LossFunctionSpecification(kappa=0.5, L1=5e-10, w1_coeffs=1, L2=5e-10, w2_coeffs=1, DeltaRad=(1e-07, 1e-07, 1e-07))\n",
+      "2021-02-26 12:53:30,938 - pyace.fitadapter - INFO - Batch size: 1000\n",
+      "2021-02-26 12:53:30.950911: I tensorflow/core/platform/cpu_feature_guard.cc:143] Your CPU supports instructions that this TensorFlow binary was not compiled to use: SSE4.1 SSE4.2 AVX AVX2 FMA\n",
+      "2021-02-26 12:53:30.974401: I tensorflow/core/platform/profile_utils/cpu_utils.cc:102] CPU Frequency: 2599990000 Hz\n",
+      "2021-02-26 12:53:30.974862: I tensorflow/compiler/xla/service/service.cc:168] XLA service 0x56396806b4b0 initialized for platform Host (this does not guarantee that XLA will be used). Devices:\n",
+      "2021-02-26 12:53:30.974895: I tensorflow/compiler/xla/service/service.cc:176]   StreamExecutor device (0): Host, Default Version\n",
+      "2021-02-26 12:53:30.974990: I tensorflow/core/common_runtime/process_util.cc:147] Creating new thread pool with default inter op setting: 2. Tune using inter_op_parallelism_threads for best performance.\n",
+      "2021-02-26 12:53:30,986 - tensorpotential.fit - INFO - Minimizer options: {'gtol': 1e-08, 'disp': True, 'maxiter': 250}\n",
+      "2021-02-26 12:53:39,074 - tensorflow - WARNING - Calling GradientTape.gradient on a persistent tape inside its context is significantly less efficient than calling it outside the context (it causes the gradient ops to be recorded on the tape, leading to increased CPU and memory usage). Only call GradientTape.gradient inside the context if you actually want to trace the gradient in order to compute higher order derivatives.\n",
+      "/home/yury/anaconda3/lib/python3.7/site-packages/tensorflow/python/framework/indexed_slices.py:434: UserWarning: Converting sparse IndexedSlices to a dense Tensor of unknown shape. This may consume a large amount of memory.\n",
+      "  \"Converting sparse IndexedSlices to a dense Tensor of unknown shape. \"\n",
+      "2021-02-26 12:53:59,220 - tensorpotential.fit - INFO - Initial state:                      Loss: 6.684830 | RMSE Energy(low): 3656.45 (3656.45) meV/at\n",
+      "/home/yury/anaconda3/lib/python3.7/site-packages/numpy/core/fromnumeric.py:3335: RuntimeWarning: Mean of empty slice.\n",
+      "  out=out, **kwargs)\n",
+      "/home/yury/anaconda3/lib/python3.7/site-packages/numpy/core/_methods.py:161: RuntimeWarning: invalid value encountered in double_scalars\n",
+      "  ret = ret.dtype.type(ret / rcount)\n",
+      "2021-02-26 12:53:59,222 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #0   Loss:    Total:  6.6848e+00 (100%) \n",
+      "                         Energy:  6.6848e+00 (100%) \n",
+      "                          Force:  2.4852e-05 (  0%) \n",
+      "                             L1:  2.6000e-28 (  0%) \n",
+      "                             L2:  2.6000e-48 (  0%) \n",
+      "                      Smooth_w1:  1.0717e-07 (  0%) \n",
+      "                      Smooth_w2:  1.0336e-07 (  0%) \n",
+      "                      Smooth_w3:  9.0044e-08 (  0%) \n",
+      " Number of params.:    142           Avg. time:        nan mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:         3656.45              3656.45                 7.05                    7.05\n",
+      "    MAE:         3656.24              3656.24                 2.01                    2.01\n",
+      " MAX_AE:         3699.84              3699.84                50.24                   50.24\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:53:59,572 - tensorpotential.fit - INFO - Iteration:  #1    (4 evals):        Loss: 0.303602 | RMSE Energy(low): 779.13 (779.13) meV/at | Forces(low): 12.96 (12.96) meV/A | Time/eval: 339.06 mcs/at\n",
+      "2021-02-26 12:53:59,826 - tensorpotential.fit - INFO - Iteration:  #2    (6 evals):        Loss: 0.200510 | RMSE Energy(low): 633.15 (633.15) meV/at | Forces(low): 11.86 (11.86) meV/A | Time/eval: 293.73 mcs/at\n",
+      "2021-02-26 12:53:59,957 - tensorpotential.fit - INFO - Iteration:  #3    (7 evals):        Loss: 0.094479 | RMSE Energy(low): 434.63 (434.63) meV/at | Forces(low): 7.26 (7.26) meV/A | Time/eval: 313.14 mcs/at\n",
+      "2021-02-26 12:54:00,099 - tensorpotential.fit - INFO - Iteration:  #4    (8 evals):        Loss: 0.031613 | RMSE Energy(low): 251.34 (251.34) meV/at | Forces(low): 7.09 (7.09) meV/A | Time/eval: 351.56 mcs/at\n",
+      "2021-02-26 12:54:00,220 - tensorpotential.fit - INFO - Iteration:  #5    (9 evals):        Loss: 0.001731 | RMSE Energy(low): 56.97 (56.97) meV/at | Forces(low): 14.68 (14.68) meV/A | Time/eval: 298.28 mcs/at\n",
+      "2021-02-26 12:54:00,477 - tensorpotential.fit - INFO - Iteration:  #6    (11 evals):       Loss: 0.001611 | RMSE Energy(low): 54.83 (54.83) meV/at | Forces(low): 14.70 (14.70) meV/A | Time/eval: 307.79 mcs/at\n",
+      "2021-02-26 12:54:00,614 - tensorpotential.fit - INFO - Iteration:  #7    (12 evals):       Loss: 0.001392 | RMSE Energy(low): 50.62 (50.62) meV/at | Forces(low): 14.84 (14.84) meV/A | Time/eval: 321.79 mcs/at\n",
+      "2021-02-26 12:54:00,751 - tensorpotential.fit - INFO - Iteration:  #8    (13 evals):       Loss: 0.001051 | RMSE Energy(low): 43.27 (43.27) meV/at | Forces(low): 15.13 (15.13) meV/A | Time/eval: 339.71 mcs/at\n",
+      "2021-02-26 12:54:00,861 - tensorpotential.fit - INFO - Iteration:  #9    (14 evals):       Loss: 0.000882 | RMSE Energy(low): 39.02 (39.02) meV/at | Forces(low): 15.51 (15.51) meV/A | Time/eval: 270.58 mcs/at\n",
+      "2021-02-26 12:54:00,978 - tensorpotential.fit - INFO - Iteration:  #10   (15 evals):       Loss: 0.000841 | RMSE Energy(low): 37.96 (37.96) meV/at | Forces(low): 15.52 (15.52) meV/A | Time/eval: 285.75 mcs/at\n",
+      "2021-02-26 12:54:01,082 - tensorpotential.fit - INFO - Iteration:  #11   (16 evals):       Loss: 0.000768 | RMSE Energy(low): 36.02 (36.02) meV/at | Forces(low): 15.42 (15.42) meV/A | Time/eval: 237.66 mcs/at\n",
+      "2021-02-26 12:54:01,198 - tensorpotential.fit - INFO - Iteration:  #12   (17 evals):       Loss: 0.000649 | RMSE Energy(low): 32.76 (32.76) meV/at | Forces(low): 14.99 (14.99) meV/A | Time/eval: 281.62 mcs/at\n",
+      "2021-02-26 12:54:01,328 - tensorpotential.fit - INFO - Iteration:  #13   (18 evals):       Loss: 0.000524 | RMSE Energy(low): 29.27 (29.27) meV/at | Forces(low): 13.78 (13.78) meV/A | Time/eval: 318.84 mcs/at\n",
+      "2021-02-26 12:54:01,450 - tensorpotential.fit - INFO - Iteration:  #14   (19 evals):       Loss: 0.000454 | RMSE Energy(low): 27.45 (27.45) meV/at | Forces(low): 12.43 (12.43) meV/A | Time/eval: 301.21 mcs/at\n",
+      "2021-02-26 12:54:01,610 - tensorpotential.fit - INFO - Iteration:  #15   (20 evals):       Loss: 0.000349 | RMSE Energy(low): 24.51 (24.51) meV/at | Forces(low): 9.84 (9.84) meV/A | Time/eval: 402.17 mcs/at\n",
+      "2021-02-26 12:54:01,730 - tensorpotential.fit - INFO - Iteration:  #16   (21 evals):       Loss: 0.000270 | RMSE Energy(low): 21.39 (21.39) meV/at | Forces(low): 9.04 (9.04) meV/A | Time/eval: 294.00 mcs/at\n",
+      "2021-02-26 12:54:01,968 - tensorpotential.fit - INFO - Iteration:  #17   (23 evals):       Loss: 0.000254 | RMSE Energy(low): 20.71 (20.71) meV/at | Forces(low): 8.80 (8.80) meV/A | Time/eval: 298.24 mcs/at\n",
+      "2021-02-26 12:54:02,080 - tensorpotential.fit - INFO - Iteration:  #18   (24 evals):       Loss: 0.000230 | RMSE Energy(low): 19.65 (19.65) meV/at | Forces(low): 8.59 (8.59) meV/A | Time/eval: 278.67 mcs/at\n",
+      "2021-02-26 12:54:02,193 - tensorpotential.fit - INFO - Iteration:  #19   (25 evals):       Loss: 0.000202 | RMSE Energy(low): 18.23 (18.23) meV/at | Forces(low): 8.44 (8.44) meV/A | Time/eval: 276.77 mcs/at\n",
+      "2021-02-26 12:54:02,308 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #20  Loss:    Total:  1.6254e-04 (100%) \n",
+      "                         Energy:  1.3102e-04 ( 81%) \n",
+      "                          Force:  3.1092e-05 ( 19%) \n",
+      "                             L1:  7.8985e-10 (  0%) \n",
+      "                             L2:  6.2020e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0666e-07 (  0%) \n",
+      "                      Smooth_w2:  1.1100e-07 (  0%) \n",
+      "                      Smooth_w3:  2.0512e-07 (  0%) \n",
+      " Number of params.:    142           Avg. time:     304.37 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:           16.19                16.19                 7.89                    7.89\n",
+      "    MAE:            9.91                 9.91                 4.08                    4.08\n",
+      " MAX_AE:          112.64               112.64                42.20                   42.20\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:02,427 - tensorpotential.fit - INFO - Iteration:  #21   (27 evals):       Loss: 0.000140 | RMSE Energy(low): 14.83 (14.83) meV/at | Forces(low): 7.64 (7.64) meV/A | Time/eval: 292.81 mcs/at\n",
+      "2021-02-26 12:54:02,558 - tensorpotential.fit - INFO - Iteration:  #22   (28 evals):       Loss: 0.000133 | RMSE Energy(low): 14.40 (14.40) meV/at | Forces(low): 7.64 (7.64) meV/A | Time/eval: 330.55 mcs/at\n",
+      "2021-02-26 12:54:02,659 - tensorpotential.fit - INFO - Iteration:  #23   (29 evals):       Loss: 0.000127 | RMSE Energy(low): 14.01 (14.01) meV/at | Forces(low): 7.60 (7.60) meV/A | Time/eval: 245.98 mcs/at\n",
+      "2021-02-26 12:54:02,757 - tensorpotential.fit - INFO - Iteration:  #24   (30 evals):       Loss: 0.000118 | RMSE Energy(low): 13.37 (13.37) meV/at | Forces(low): 7.45 (7.45) meV/A | Time/eval: 249.06 mcs/at\n",
+      "2021-02-26 12:54:02,861 - tensorpotential.fit - INFO - Iteration:  #25   (31 evals):       Loss: 0.000102 | RMSE Energy(low): 12.31 (12.31) meV/at | Forces(low): 7.12 (7.12) meV/A | Time/eval: 268.60 mcs/at\n",
+      "2021-02-26 12:54:02,955 - tensorpotential.fit - INFO - Iteration:  #26   (32 evals):       Loss: 0.000085 | RMSE Energy(low): 11.17 (11.17) meV/at | Forces(low): 6.62 (6.62) meV/A | Time/eval: 239.79 mcs/at\n",
+      "2021-02-26 12:54:03,060 - tensorpotential.fit - INFO - Iteration:  #27   (33 evals):       Loss: 0.000079 | RMSE Energy(low): 10.77 (10.77) meV/at | Forces(low): 6.34 (6.34) meV/A | Time/eval: 270.46 mcs/at\n",
+      "2021-02-26 12:54:03,168 - tensorpotential.fit - INFO - Iteration:  #28   (34 evals):       Loss: 0.000074 | RMSE Energy(low): 10.46 (10.46) meV/at | Forces(low): 6.18 (6.18) meV/A | Time/eval: 276.94 mcs/at\n",
+      "2021-02-26 12:54:03,289 - tensorpotential.fit - INFO - Iteration:  #29   (35 evals):       Loss: 0.000073 | RMSE Energy(low): 10.38 (10.38) meV/at | Forces(low): 6.12 (6.12) meV/A | Time/eval: 307.80 mcs/at\n",
+      "2021-02-26 12:54:03,407 - tensorpotential.fit - INFO - Iteration:  #30   (36 evals):       Loss: 0.000073 | RMSE Energy(low): 10.29 (10.29) meV/at | Forces(low): 6.19 (6.19) meV/A | Time/eval: 286.34 mcs/at\n",
+      "2021-02-26 12:54:03,523 - tensorpotential.fit - INFO - Iteration:  #31   (37 evals):       Loss: 0.000072 | RMSE Energy(low): 10.22 (10.22) meV/at | Forces(low): 6.20 (6.20) meV/A | Time/eval: 264.44 mcs/at\n",
+      "2021-02-26 12:54:03,645 - tensorpotential.fit - INFO - Iteration:  #32   (38 evals):       Loss: 0.000071 | RMSE Energy(low): 10.11 (10.11) meV/at | Forces(low): 6.19 (6.19) meV/A | Time/eval: 311.46 mcs/at\n",
+      "2021-02-26 12:54:03,749 - tensorpotential.fit - INFO - Iteration:  #33   (39 evals):       Loss: 0.000069 | RMSE Energy(low): 9.92 (9.92) meV/at | Forces(low): 6.16 (6.16) meV/A | Time/eval: 235.69 mcs/at\n",
+      "2021-02-26 12:54:03,871 - tensorpotential.fit - INFO - Iteration:  #34   (40 evals):       Loss: 0.000065 | RMSE Energy(low): 9.56 (9.56) meV/at | Forces(low): 6.07 (6.07) meV/A | Time/eval: 280.99 mcs/at\n",
+      "2021-02-26 12:54:03,984 - tensorpotential.fit - INFO - Iteration:  #35   (41 evals):       Loss: 0.000058 | RMSE Energy(low): 8.90 (8.90) meV/at | Forces(low): 5.94 (5.94) meV/A | Time/eval: 253.21 mcs/at\n",
+      "2021-02-26 12:54:04,093 - tensorpotential.fit - INFO - Iteration:  #36   (42 evals):       Loss: 0.000049 | RMSE Energy(low): 7.98 (7.98) meV/at | Forces(low): 5.84 (5.84) meV/A | Time/eval: 263.82 mcs/at\n",
+      "2021-02-26 12:54:04,207 - tensorpotential.fit - INFO - Iteration:  #37   (43 evals):       Loss: 0.000046 | RMSE Energy(low): 7.48 (7.48) meV/at | Forces(low): 5.94 (5.94) meV/A | Time/eval: 277.82 mcs/at\n",
+      "2021-02-26 12:54:04,333 - tensorpotential.fit - INFO - Iteration:  #38   (44 evals):       Loss: 0.000041 | RMSE Energy(low): 6.96 (6.96) meV/at | Forces(low): 5.73 (5.73) meV/A | Time/eval: 297.36 mcs/at\n",
+      "2021-02-26 12:54:04,454 - tensorpotential.fit - INFO - Iteration:  #39   (45 evals):       Loss: 0.000036 | RMSE Energy(low): 6.74 (6.74) meV/at | Forces(low): 5.14 (5.14) meV/A | Time/eval: 296.20 mcs/at\n",
+      "2021-02-26 12:54:04,583 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #40  Loss:    Total:  3.5821e-05 (100%) \n",
+      "                         Energy:  2.4491e-05 ( 68%) \n",
+      "                          Force:  1.0850e-05 ( 30%) \n",
+      "                             L1:  9.5192e-10 (  0%) \n",
+      "                             L2:  8.2380e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0400e-07 (  0%) \n",
+      "                      Smooth_w2:  1.1627e-07 (  0%) \n",
+      "                      Smooth_w3:  2.5890e-07 (  1%) \n",
+      " Number of params.:    142           Avg. time:     291.27 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            7.00                 7.00                 4.66                    4.66\n",
+      "    MAE:            4.53                 4.53                 1.53                    1.53\n",
+      " MAX_AE:           46.90                46.90                31.24                   31.24\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:04,709 - tensorpotential.fit - INFO - Iteration:  #41   (47 evals):       Loss: 0.000035 | RMSE Energy(low): 6.89 (6.89) meV/at | Forces(low): 4.67 (4.67) meV/A | Time/eval: 314.61 mcs/at\n",
+      "2021-02-26 12:54:04,856 - tensorpotential.fit - INFO - Iteration:  #42   (48 evals):       Loss: 0.000035 | RMSE Energy(low): 6.83 (6.83) meV/at | Forces(low): 4.69 (4.69) meV/A | Time/eval: 371.32 mcs/at\n",
+      "2021-02-26 12:54:04,978 - tensorpotential.fit - INFO - Iteration:  #43   (49 evals):       Loss: 0.000034 | RMSE Energy(low): 6.76 (6.76) meV/at | Forces(low): 4.72 (4.72) meV/A | Time/eval: 298.70 mcs/at\n",
+      "2021-02-26 12:54:05,091 - tensorpotential.fit - INFO - Iteration:  #44   (50 evals):       Loss: 0.000034 | RMSE Energy(low): 6.60 (6.60) meV/at | Forces(low): 4.78 (4.78) meV/A | Time/eval: 275.15 mcs/at\n",
+      "2021-02-26 12:54:05,191 - tensorpotential.fit - INFO - Iteration:  #45   (51 evals):       Loss: 0.000032 | RMSE Energy(low): 6.34 (6.34) meV/at | Forces(low): 4.87 (4.87) meV/A | Time/eval: 237.63 mcs/at\n",
+      "2021-02-26 12:54:05,317 - tensorpotential.fit - INFO - Iteration:  #46   (52 evals):       Loss: 0.000031 | RMSE Energy(low): 6.02 (6.02) meV/at | Forces(low): 4.97 (4.97) meV/A | Time/eval: 310.74 mcs/at\n",
+      "2021-02-26 12:54:05,451 - tensorpotential.fit - INFO - Iteration:  #47   (53 evals):       Loss: 0.000030 | RMSE Energy(low): 5.70 (5.70) meV/at | Forces(low): 5.11 (5.11) meV/A | Time/eval: 335.74 mcs/at\n",
+      "2021-02-26 12:54:05,578 - tensorpotential.fit - INFO - Iteration:  #48   (54 evals):       Loss: 0.000029 | RMSE Energy(low): 5.67 (5.67) meV/at | Forces(low): 4.94 (4.94) meV/A | Time/eval: 318.67 mcs/at\n",
+      "2021-02-26 12:54:05,738 - tensorpotential.fit - INFO - Iteration:  #49   (55 evals):       Loss: 0.000027 | RMSE Energy(low): 5.80 (5.80) meV/at | Forces(low): 4.50 (4.50) meV/A | Time/eval: 403.02 mcs/at\n",
+      "2021-02-26 12:54:05,880 - tensorpotential.fit - INFO - Iteration:  #50   (56 evals):       Loss: 0.000027 | RMSE Energy(low): 5.88 (5.88) meV/at | Forces(low): 4.21 (4.21) meV/A | Time/eval: 355.52 mcs/at\n",
+      "2021-02-26 12:54:06,126 - tensorpotential.fit - INFO - Iteration:  #51   (58 evals):       Loss: 0.000026 | RMSE Energy(low): 5.93 (5.93) meV/at | Forces(low): 4.00 (4.00) meV/A | Time/eval: 316.18 mcs/at\n",
+      "2021-02-26 12:54:06,224 - tensorpotential.fit - INFO - Iteration:  #52   (59 evals):       Loss: 0.000025 | RMSE Energy(low): 5.88 (5.88) meV/at | Forces(low): 3.87 (3.87) meV/A | Time/eval: 233.44 mcs/at\n",
+      "2021-02-26 12:54:06,352 - tensorpotential.fit - INFO - Iteration:  #53   (60 evals):       Loss: 0.000024 | RMSE Energy(low): 5.74 (5.74) meV/at | Forces(low): 3.81 (3.81) meV/A | Time/eval: 317.43 mcs/at\n",
+      "2021-02-26 12:54:06,514 - tensorpotential.fit - INFO - Iteration:  #54   (61 evals):       Loss: 0.000024 | RMSE Energy(low): 5.65 (5.65) meV/at | Forces(low): 3.82 (3.82) meV/A | Time/eval: 412.65 mcs/at\n",
+      "2021-02-26 12:54:06,659 - tensorpotential.fit - INFO - Iteration:  #55   (62 evals):       Loss: 0.000024 | RMSE Energy(low): 5.61 (5.61) meV/at | Forces(low): 3.84 (3.84) meV/A | Time/eval: 342.66 mcs/at\n",
+      "2021-02-26 12:54:06,800 - tensorpotential.fit - INFO - Iteration:  #56   (63 evals):       Loss: 0.000023 | RMSE Energy(low): 5.58 (5.58) meV/at | Forces(low): 3.84 (3.84) meV/A | Time/eval: 356.49 mcs/at\n",
+      "2021-02-26 12:54:06,932 - tensorpotential.fit - INFO - Iteration:  #57   (64 evals):       Loss: 0.000023 | RMSE Energy(low): 5.55 (5.55) meV/at | Forces(low): 3.85 (3.85) meV/A | Time/eval: 330.43 mcs/at\n",
+      "2021-02-26 12:54:07,073 - tensorpotential.fit - INFO - Iteration:  #58   (65 evals):       Loss: 0.000023 | RMSE Energy(low): 5.51 (5.51) meV/at | Forces(low): 3.86 (3.86) meV/A | Time/eval: 328.28 mcs/at\n",
+      "2021-02-26 12:54:07,204 - tensorpotential.fit - INFO - Iteration:  #59   (66 evals):       Loss: 0.000023 | RMSE Energy(low): 5.46 (5.46) meV/at | Forces(low): 3.88 (3.88) meV/A | Time/eval: 319.43 mcs/at\n",
+      "2021-02-26 12:54:07,332 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #60  Loss:    Total:  2.2841e-05 (100%) \n",
+      "                         Energy:  1.4632e-05 ( 64%) \n",
+      "                          Force:  7.7111e-06 ( 34%) \n",
+      "                             L1:  1.0139e-09 (  0%) \n",
+      "                             L2:  9.1079e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0344e-07 (  0%) \n",
+      "                      Smooth_w2:  1.1771e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7585e-07 (  1%) \n",
+      " Number of params.:    142           Avg. time:     302.41 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            5.41                 5.41                 3.93                    3.93\n",
+      "    MAE:            4.25                 4.25                 1.44                    1.44\n",
+      " MAX_AE:           29.48                29.48                33.89                   33.89\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:07,464 - tensorpotential.fit - INFO - Iteration:  #61   (68 evals):       Loss: 0.000023 | RMSE Energy(low): 5.39 (5.39) meV/at | Forces(low): 3.95 (3.95) meV/A | Time/eval: 306.28 mcs/at\n",
+      "2021-02-26 12:54:07,607 - tensorpotential.fit - INFO - Iteration:  #62   (69 evals):       Loss: 0.000023 | RMSE Energy(low): 5.37 (5.37) meV/at | Forces(low): 3.97 (3.97) meV/A | Time/eval: 339.59 mcs/at\n",
+      "2021-02-26 12:54:07,725 - tensorpotential.fit - INFO - Iteration:  #63   (70 evals):       Loss: 0.000023 | RMSE Energy(low): 5.35 (5.35) meV/at | Forces(low): 3.99 (3.99) meV/A | Time/eval: 287.67 mcs/at\n",
+      "2021-02-26 12:54:07,866 - tensorpotential.fit - INFO - Iteration:  #64   (71 evals):       Loss: 0.000023 | RMSE Energy(low): 5.33 (5.33) meV/at | Forces(low): 4.00 (4.00) meV/A | Time/eval: 339.93 mcs/at\n",
+      "2021-02-26 12:54:07,992 - tensorpotential.fit - INFO - Iteration:  #65   (72 evals):       Loss: 0.000023 | RMSE Energy(low): 5.29 (5.29) meV/at | Forces(low): 4.02 (4.02) meV/A | Time/eval: 311.13 mcs/at\n",
+      "2021-02-26 12:54:08,115 - tensorpotential.fit - INFO - Iteration:  #66   (73 evals):       Loss: 0.000022 | RMSE Energy(low): 5.25 (5.25) meV/at | Forces(low): 4.02 (4.02) meV/A | Time/eval: 302.47 mcs/at\n",
+      "2021-02-26 12:54:08,241 - tensorpotential.fit - INFO - Iteration:  #67   (74 evals):       Loss: 0.000022 | RMSE Energy(low): 5.19 (5.19) meV/at | Forces(low): 3.99 (3.99) meV/A | Time/eval: 308.98 mcs/at\n",
+      "2021-02-26 12:54:08,371 - tensorpotential.fit - INFO - Iteration:  #68   (75 evals):       Loss: 0.000021 | RMSE Energy(low): 5.18 (5.18) meV/at | Forces(low): 3.88 (3.88) meV/A | Time/eval: 306.33 mcs/at\n",
+      "2021-02-26 12:54:08,490 - tensorpotential.fit - INFO - Iteration:  #69   (76 evals):       Loss: 0.000021 | RMSE Energy(low): 5.15 (5.15) meV/at | Forces(low): 3.77 (3.77) meV/A | Time/eval: 288.48 mcs/at\n",
+      "2021-02-26 12:54:08,625 - tensorpotential.fit - INFO - Iteration:  #70   (77 evals):       Loss: 0.000020 | RMSE Energy(low): 5.23 (5.23) meV/at | Forces(low): 3.48 (3.48) meV/A | Time/eval: 321.09 mcs/at\n",
+      "2021-02-26 12:54:08,739 - tensorpotential.fit - INFO - Iteration:  #71   (78 evals):       Loss: 0.000020 | RMSE Energy(low): 5.30 (5.30) meV/at | Forces(low): 3.33 (3.33) meV/A | Time/eval: 279.25 mcs/at\n",
+      "2021-02-26 12:54:08,895 - tensorpotential.fit - INFO - Iteration:  #72   (79 evals):       Loss: 0.000020 | RMSE Energy(low): 5.25 (5.25) meV/at | Forces(low): 3.33 (3.33) meV/A | Time/eval: 387.63 mcs/at\n",
+      "2021-02-26 12:54:09,100 - tensorpotential.fit - INFO - Iteration:  #73   (81 evals):       Loss: 0.000020 | RMSE Energy(low): 5.25 (5.25) meV/at | Forces(low): 3.31 (3.31) meV/A | Time/eval: 266.52 mcs/at\n",
+      "2021-02-26 12:54:09,268 - tensorpotential.fit - INFO - Iteration:  #74   (82 evals):       Loss: 0.000020 | RMSE Energy(low): 5.23 (5.23) meV/at | Forces(low): 3.29 (3.29) meV/A | Time/eval: 308.24 mcs/at\n",
+      "2021-02-26 12:54:09,385 - tensorpotential.fit - INFO - Iteration:  #75   (83 evals):       Loss: 0.000019 | RMSE Energy(low): 5.21 (5.21) meV/at | Forces(low): 3.28 (3.28) meV/A | Time/eval: 291.14 mcs/at\n",
+      "2021-02-26 12:54:09,489 - tensorpotential.fit - INFO - Iteration:  #76   (84 evals):       Loss: 0.000019 | RMSE Energy(low): 5.20 (5.20) meV/at | Forces(low): 3.25 (3.25) meV/A | Time/eval: 253.57 mcs/at\n",
+      "2021-02-26 12:54:09,624 - tensorpotential.fit - INFO - Iteration:  #77   (85 evals):       Loss: 0.000019 | RMSE Energy(low): 5.21 (5.21) meV/at | Forces(low): 3.20 (3.20) meV/A | Time/eval: 338.77 mcs/at\n",
+      "2021-02-26 12:54:09,735 - tensorpotential.fit - INFO - Iteration:  #78   (86 evals):       Loss: 0.000019 | RMSE Energy(low): 5.22 (5.22) meV/at | Forces(low): 3.14 (3.14) meV/A | Time/eval: 273.32 mcs/at\n",
+      "2021-02-26 12:54:09,867 - tensorpotential.fit - INFO - Iteration:  #79   (87 evals):       Loss: 0.000019 | RMSE Energy(low): 5.28 (5.28) meV/at | Forces(low): 3.00 (3.00) meV/A | Time/eval: 335.83 mcs/at\n",
+      "2021-02-26 12:54:09,998 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #80  Loss:    Total:  1.8771e-05 (100%) \n",
+      "                         Energy:  1.3793e-05 ( 73%) \n",
+      "                          Force:  4.4981e-06 ( 24%) \n",
+      "                             L1:  9.0636e-10 (  0%) \n",
+      "                             L2:  6.5442e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0498e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1436e-07 (  1%) \n",
+      "                      Smooth_w3:  2.5976e-07 (  1%) \n",
+      " Number of params.:    142           Avg. time:     303.87 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            5.25                 5.25                 3.00                    3.00\n",
+      "    MAE:            4.41                 4.41                 1.05                    1.05\n",
+      " MAX_AE:           22.20                22.20                28.72                   28.72\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:10,104 - tensorpotential.fit - INFO - Iteration:  #81   (89 evals):       Loss: 0.000019 | RMSE Energy(low): 5.23 (5.23) meV/at | Forces(low): 2.98 (2.98) meV/A | Time/eval: 258.46 mcs/at\n",
+      "2021-02-26 12:54:10,227 - tensorpotential.fit - INFO - Iteration:  #82   (90 evals):       Loss: 0.000018 | RMSE Energy(low): 5.22 (5.22) meV/at | Forces(low): 2.93 (2.93) meV/A | Time/eval: 303.29 mcs/at\n",
+      "2021-02-26 12:54:10,353 - tensorpotential.fit - INFO - Iteration:  #83   (91 evals):       Loss: 0.000018 | RMSE Energy(low): 5.20 (5.20) meV/at | Forces(low): 2.84 (2.84) meV/A | Time/eval: 311.32 mcs/at\n",
+      "2021-02-26 12:54:10,466 - tensorpotential.fit - INFO - Iteration:  #84   (92 evals):       Loss: 0.000018 | RMSE Energy(low): 5.09 (5.09) meV/at | Forces(low): 2.85 (2.85) meV/A | Time/eval: 279.70 mcs/at\n",
+      "2021-02-26 12:54:10,572 - tensorpotential.fit - INFO - Iteration:  #85   (93 evals):       Loss: 0.000017 | RMSE Energy(low): 4.91 (4.91) meV/at | Forces(low): 2.91 (2.91) meV/A | Time/eval: 268.49 mcs/at\n",
+      "2021-02-26 12:54:10,816 - tensorpotential.fit - INFO - Iteration:  #86   (95 evals):       Loss: 0.000016 | RMSE Energy(low): 4.83 (4.83) meV/at | Forces(low): 2.91 (2.91) meV/A | Time/eval: 296.78 mcs/at\n",
+      "2021-02-26 12:54:10,948 - tensorpotential.fit - INFO - Iteration:  #87   (96 evals):       Loss: 0.000016 | RMSE Energy(low): 4.72 (4.72) meV/at | Forces(low): 2.95 (2.95) meV/A | Time/eval: 339.19 mcs/at\n",
+      "2021-02-26 12:54:11,071 - tensorpotential.fit - INFO - Iteration:  #88   (97 evals):       Loss: 0.000015 | RMSE Energy(low): 4.58 (4.58) meV/at | Forces(low): 2.99 (2.99) meV/A | Time/eval: 305.24 mcs/at\n",
+      "2021-02-26 12:54:11,190 - tensorpotential.fit - INFO - Iteration:  #89   (98 evals):       Loss: 0.000015 | RMSE Energy(low): 4.41 (4.41) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 277.96 mcs/at\n",
+      "2021-02-26 12:54:11,343 - tensorpotential.fit - INFO - Iteration:  #90   (99 evals):       Loss: 0.000014 | RMSE Energy(low): 4.32 (4.32) meV/at | Forces(low): 2.96 (2.96) meV/A | Time/eval: 387.03 mcs/at\n",
+      "2021-02-26 12:54:11,562 - tensorpotential.fit - INFO - Iteration:  #91   (101 evals):      Loss: 0.000014 | RMSE Energy(low): 4.28 (4.28) meV/at | Forces(low): 2.90 (2.90) meV/A | Time/eval: 278.25 mcs/at\n",
+      "2021-02-26 12:54:11,686 - tensorpotential.fit - INFO - Iteration:  #92   (102 evals):      Loss: 0.000013 | RMSE Energy(low): 4.21 (4.21) meV/at | Forces(low): 2.85 (2.85) meV/A | Time/eval: 282.02 mcs/at\n",
+      "2021-02-26 12:54:11,811 - tensorpotential.fit - INFO - Iteration:  #93   (103 evals):      Loss: 0.000013 | RMSE Energy(low): 4.11 (4.11) meV/at | Forces(low): 2.81 (2.81) meV/A | Time/eval: 305.80 mcs/at\n",
+      "2021-02-26 12:54:11,936 - tensorpotential.fit - INFO - Iteration:  #94   (104 evals):      Loss: 0.000012 | RMSE Energy(low): 3.95 (3.95) meV/at | Forces(low): 2.86 (2.86) meV/A | Time/eval: 313.23 mcs/at\n",
+      "2021-02-26 12:54:12,065 - tensorpotential.fit - INFO - Iteration:  #95   (105 evals):      Loss: 0.000012 | RMSE Energy(low): 3.69 (3.69) meV/at | Forces(low): 2.93 (2.93) meV/A | Time/eval: 319.23 mcs/at\n",
+      "2021-02-26 12:54:12,217 - tensorpotential.fit - INFO - Iteration:  #96   (106 evals):      Loss: 0.000011 | RMSE Energy(low): 3.41 (3.41) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 374.15 mcs/at\n",
+      "2021-02-26 12:54:12,448 - tensorpotential.fit - INFO - Iteration:  #97   (108 evals):      Loss: 0.000011 | RMSE Energy(low): 3.37 (3.37) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 248.47 mcs/at\n",
+      "2021-02-26 12:54:12,561 - tensorpotential.fit - INFO - Iteration:  #98   (109 evals):      Loss: 0.000011 | RMSE Energy(low): 3.30 (3.30) meV/at | Forces(low): 3.03 (3.03) meV/A | Time/eval: 291.93 mcs/at\n",
+      "2021-02-26 12:54:12,822 - tensorpotential.fit - INFO - Iteration:  #99   (111 evals):      Loss: 0.000010 | RMSE Energy(low): 3.25 (3.25) meV/at | Forces(low): 3.05 (3.05) meV/A | Time/eval: 353.00 mcs/at\n",
+      "2021-02-26 12:54:12,935 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #100 Loss:    Total:  1.0377e-05 (100%) \n",
+      "                         Energy:  5.2723e-06 ( 51%) \n",
+      "                          Force:  4.6052e-06 ( 44%) \n",
+      "                             L1:  8.6127e-10 (  0%) \n",
+      "                             L2:  6.0104e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0808e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1518e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7575e-07 (  3%) \n",
+      " Number of params.:    142           Avg. time:     303.91 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.25                 3.25                 3.03                    3.03\n",
+      "    MAE:            2.77                 2.77                 1.55                    1.55\n",
+      " MAX_AE:            9.27                 9.27                23.76                   23.76\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:13,077 - tensorpotential.fit - INFO - Iteration:  #101  (113 evals):      Loss: 0.000010 | RMSE Energy(low): 3.25 (3.25) meV/at | Forces(low): 3.03 (3.03) meV/A | Time/eval: 341.87 mcs/at\n",
+      "2021-02-26 12:54:13,230 - tensorpotential.fit - INFO - Iteration:  #102  (114 evals):      Loss: 0.000010 | RMSE Energy(low): 3.25 (3.25) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 377.39 mcs/at\n",
+      "2021-02-26 12:54:13,350 - tensorpotential.fit - INFO - Iteration:  #103  (115 evals):      Loss: 0.000010 | RMSE Energy(low): 3.22 (3.22) meV/at | Forces(low): 3.04 (3.04) meV/A | Time/eval: 297.68 mcs/at\n",
+      "2021-02-26 12:54:13,503 - tensorpotential.fit - INFO - Iteration:  #104  (116 evals):      Loss: 0.000010 | RMSE Energy(low): 3.18 (3.18) meV/at | Forces(low): 3.06 (3.06) meV/A | Time/eval: 384.92 mcs/at\n",
+      "2021-02-26 12:54:13,637 - tensorpotential.fit - INFO - Iteration:  #105  (117 evals):      Loss: 0.000010 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 3.13 (3.13) meV/A | Time/eval: 332.21 mcs/at\n",
+      "2021-02-26 12:54:13,771 - tensorpotential.fit - INFO - Iteration:  #106  (118 evals):      Loss: 0.000010 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 3.14 (3.14) meV/A | Time/eval: 335.98 mcs/at\n",
+      "2021-02-26 12:54:13,910 - tensorpotential.fit - INFO - Iteration:  #107  (119 evals):      Loss: 0.000010 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 3.16 (3.16) meV/A | Time/eval: 347.29 mcs/at\n",
+      "2021-02-26 12:54:14,037 - tensorpotential.fit - INFO - Iteration:  #108  (120 evals):      Loss: 0.000010 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 3.15 (3.15) meV/A | Time/eval: 286.71 mcs/at\n",
+      "2021-02-26 12:54:14,159 - tensorpotential.fit - INFO - Iteration:  #109  (121 evals):      Loss: 0.000010 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 3.14 (3.14) meV/A | Time/eval: 300.97 mcs/at\n",
+      "2021-02-26 12:54:14,294 - tensorpotential.fit - INFO - Iteration:  #110  (122 evals):      Loss: 0.000010 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 3.13 (3.13) meV/A | Time/eval: 335.16 mcs/at\n",
+      "2021-02-26 12:54:14,418 - tensorpotential.fit - INFO - Iteration:  #111  (123 evals):      Loss: 0.000010 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 3.10 (3.10) meV/A | Time/eval: 293.58 mcs/at\n",
+      "2021-02-26 12:54:14,537 - tensorpotential.fit - INFO - Iteration:  #112  (124 evals):      Loss: 0.000010 | RMSE Energy(low): 3.10 (3.10) meV/at | Forces(low): 3.07 (3.07) meV/A | Time/eval: 289.95 mcs/at\n",
+      "2021-02-26 12:54:14,665 - tensorpotential.fit - INFO - Iteration:  #113  (125 evals):      Loss: 0.000010 | RMSE Energy(low): 3.12 (3.12) meV/at | Forces(low): 3.03 (3.03) meV/A | Time/eval: 297.54 mcs/at\n",
+      "2021-02-26 12:54:14,814 - tensorpotential.fit - INFO - Iteration:  #114  (126 evals):      Loss: 0.000010 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.96 (2.96) meV/A | Time/eval: 374.17 mcs/at\n",
+      "2021-02-26 12:54:14,912 - tensorpotential.fit - INFO - Iteration:  #115  (127 evals):      Loss: 0.000010 | RMSE Energy(low): 3.17 (3.17) meV/at | Forces(low): 2.86 (2.86) meV/A | Time/eval: 237.00 mcs/at\n",
+      "2021-02-26 12:54:15,047 - tensorpotential.fit - INFO - Iteration:  #116  (128 evals):      Loss: 0.000009 | RMSE Energy(low): 3.20 (3.20) meV/at | Forces(low): 2.71 (2.71) meV/A | Time/eval: 299.96 mcs/at\n",
+      "2021-02-26 12:54:15,170 - tensorpotential.fit - INFO - Iteration:  #117  (129 evals):      Loss: 0.000009 | RMSE Energy(low): 3.18 (3.18) meV/at | Forces(low): 2.57 (2.57) meV/A | Time/eval: 302.28 mcs/at\n",
+      "2021-02-26 12:54:15,277 - tensorpotential.fit - INFO - Iteration:  #118  (130 evals):      Loss: 0.000009 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.59 (2.59) meV/A | Time/eval: 259.07 mcs/at\n",
+      "2021-02-26 12:54:15,432 - tensorpotential.fit - INFO - Iteration:  #119  (131 evals):      Loss: 0.000009 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.59 (2.59) meV/A | Time/eval: 356.38 mcs/at\n",
+      "2021-02-26 12:54:15,555 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #120 Loss:    Total:  8.5613e-06 (100%) \n",
+      "                         Energy:  4.8219e-06 ( 56%) \n",
+      "                          Force:  3.2445e-06 ( 38%) \n",
+      "                             L1:  8.0928e-10 (  0%) \n",
+      "                             L2:  5.3131e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0864e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1463e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7075e-07 (  3%) \n",
+      " Number of params.:    142           Avg. time:     306.21 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.11                 3.11                 2.55                    2.55\n",
+      "    MAE:            2.61                 2.61                 1.30                    1.30\n",
+      " MAX_AE:            8.93                 8.93                17.03                   17.03\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:15,664 - tensorpotential.fit - INFO - Iteration:  #121  (133 evals):      Loss: 0.000009 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.51 (2.51) meV/A | Time/eval: 262.97 mcs/at\n",
+      "2021-02-26 12:54:15,800 - tensorpotential.fit - INFO - Iteration:  #122  (134 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 338.53 mcs/at\n",
+      "2021-02-26 12:54:15,928 - tensorpotential.fit - INFO - Iteration:  #123  (135 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 304.39 mcs/at\n",
+      "2021-02-26 12:54:16,082 - tensorpotential.fit - INFO - Iteration:  #124  (136 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 386.54 mcs/at\n",
+      "2021-02-26 12:54:16,223 - tensorpotential.fit - INFO - Iteration:  #125  (137 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 353.68 mcs/at\n",
+      "2021-02-26 12:54:16,335 - tensorpotential.fit - INFO - Iteration:  #126  (138 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 255.92 mcs/at\n",
+      "2021-02-26 12:54:16,447 - tensorpotential.fit - INFO - Iteration:  #127  (139 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 272.67 mcs/at\n",
+      "2021-02-26 12:54:16,569 - tensorpotential.fit - INFO - Iteration:  #128  (140 evals):      Loss: 0.000009 | RMSE Energy(low): 3.15 (3.15) meV/at | Forces(low): 2.48 (2.48) meV/A | Time/eval: 300.47 mcs/at\n",
+      "2021-02-26 12:54:16,687 - tensorpotential.fit - INFO - Iteration:  #129  (141 evals):      Loss: 0.000009 | RMSE Energy(low): 3.15 (3.15) meV/at | Forces(low): 2.48 (2.48) meV/A | Time/eval: 289.56 mcs/at\n",
+      "2021-02-26 12:54:16,810 - tensorpotential.fit - INFO - Iteration:  #130  (142 evals):      Loss: 0.000009 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.48 (2.48) meV/A | Time/eval: 314.82 mcs/at\n",
+      "2021-02-26 12:54:16,939 - tensorpotential.fit - INFO - Iteration:  #131  (143 evals):      Loss: 0.000008 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 308.93 mcs/at\n",
+      "2021-02-26 12:54:17,067 - tensorpotential.fit - INFO - Iteration:  #132  (144 evals):      Loss: 0.000008 | RMSE Energy(low): 3.13 (3.13) meV/at | Forces(low): 2.46 (2.46) meV/A | Time/eval: 319.54 mcs/at\n",
+      "2021-02-26 12:54:17,179 - tensorpotential.fit - INFO - Iteration:  #133  (145 evals):      Loss: 0.000008 | RMSE Energy(low): 3.11 (3.11) meV/at | Forces(low): 2.45 (2.45) meV/A | Time/eval: 274.33 mcs/at\n",
+      "2021-02-26 12:54:17,300 - tensorpotential.fit - INFO - Iteration:  #134  (146 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.45 (2.45) meV/A | Time/eval: 297.26 mcs/at\n",
+      "2021-02-26 12:54:17,506 - tensorpotential.fit - INFO - Iteration:  #135  (148 evals):      Loss: 0.000008 | RMSE Energy(low): 3.10 (3.10) meV/at | Forces(low): 2.40 (2.40) meV/A | Time/eval: 237.99 mcs/at\n",
+      "2021-02-26 12:54:17,626 - tensorpotential.fit - INFO - Iteration:  #136  (149 evals):      Loss: 0.000008 | RMSE Energy(low): 3.10 (3.10) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 283.21 mcs/at\n",
+      "2021-02-26 12:54:17,779 - tensorpotential.fit - INFO - Iteration:  #137  (150 evals):      Loss: 0.000008 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 379.58 mcs/at\n",
+      "2021-02-26 12:54:17,946 - tensorpotential.fit - INFO - Iteration:  #138  (151 evals):      Loss: 0.000008 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 420.16 mcs/at\n",
+      "2021-02-26 12:54:18,084 - tensorpotential.fit - INFO - Iteration:  #139  (152 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.34 (2.34) meV/A | Time/eval: 346.99 mcs/at\n",
+      "2021-02-26 12:54:18,223 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #140 Loss:    Total:  7.9446e-06 (100%) \n",
+      "                         Energy:  4.7099e-06 ( 59%) \n",
+      "                          Force:  2.7381e-06 ( 34%) \n",
+      "                             L1:  8.5915e-10 (  0%) \n",
+      "                             L2:  5.8319e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0881e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1418e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7260e-07 (  3%) \n",
+      " Number of params.:    142           Avg. time:     307.45 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.07                 3.07                 2.34                    2.34\n",
+      "    MAE:            2.59                 2.59                 1.17                    1.17\n",
+      " MAX_AE:            8.85                 8.85                16.45                   16.45\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:18,348 - tensorpotential.fit - INFO - Iteration:  #141  (154 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.34 (2.34) meV/A | Time/eval: 304.74 mcs/at\n",
+      "2021-02-26 12:54:18,470 - tensorpotential.fit - INFO - Iteration:  #142  (155 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 297.56 mcs/at\n",
+      "2021-02-26 12:54:18,592 - tensorpotential.fit - INFO - Iteration:  #143  (156 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 299.32 mcs/at\n",
+      "2021-02-26 12:54:18,736 - tensorpotential.fit - INFO - Iteration:  #144  (157 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 354.64 mcs/at\n",
+      "2021-02-26 12:54:18,848 - tensorpotential.fit - INFO - Iteration:  #145  (158 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 271.60 mcs/at\n",
+      "2021-02-26 12:54:18,968 - tensorpotential.fit - INFO - Iteration:  #146  (159 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 295.82 mcs/at\n",
+      "2021-02-26 12:54:19,089 - tensorpotential.fit - INFO - Iteration:  #147  (160 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.34 (2.34) meV/A | Time/eval: 298.01 mcs/at\n",
+      "2021-02-26 12:54:19,211 - tensorpotential.fit - INFO - Iteration:  #148  (161 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 294.83 mcs/at\n",
+      "2021-02-26 12:54:19,324 - tensorpotential.fit - INFO - Iteration:  #149  (162 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 275.86 mcs/at\n",
+      "2021-02-26 12:54:19,466 - tensorpotential.fit - INFO - Iteration:  #150  (163 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 347.71 mcs/at\n",
+      "2021-02-26 12:54:19,597 - tensorpotential.fit - INFO - Iteration:  #151  (164 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 323.14 mcs/at\n",
+      "2021-02-26 12:54:19,728 - tensorpotential.fit - INFO - Iteration:  #152  (165 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.30 (2.30) meV/A | Time/eval: 324.41 mcs/at\n",
+      "2021-02-26 12:54:19,843 - tensorpotential.fit - INFO - Iteration:  #153  (166 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 280.61 mcs/at\n",
+      "2021-02-26 12:54:19,976 - tensorpotential.fit - INFO - Iteration:  #154  (167 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 315.63 mcs/at\n",
+      "2021-02-26 12:54:20,081 - tensorpotential.fit - INFO - Iteration:  #155  (168 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 254.85 mcs/at\n",
+      "2021-02-26 12:54:20,207 - tensorpotential.fit - INFO - Iteration:  #156  (169 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 310.60 mcs/at\n",
+      "2021-02-26 12:54:20,338 - tensorpotential.fit - INFO - Iteration:  #157  (170 evals):      Loss: 0.000008 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.33 (2.33) meV/A | Time/eval: 325.94 mcs/at\n",
+      "2021-02-26 12:54:20,478 - tensorpotential.fit - INFO - Iteration:  #158  (171 evals):      Loss: 0.000008 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.33 (2.33) meV/A | Time/eval: 333.05 mcs/at\n",
+      "2021-02-26 12:54:20,594 - tensorpotential.fit - INFO - Iteration:  #159  (172 evals):      Loss: 0.000008 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.33 (2.33) meV/A | Time/eval: 286.95 mcs/at\n",
+      "2021-02-26 12:54:20,713 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #160 Loss:    Total:  7.8169e-06 (100%) \n",
+      "                         Energy:  4.6026e-06 ( 59%) \n",
+      "                          Force:  2.7055e-06 ( 35%) \n",
+      "                             L1:  8.8584e-10 (  0%) \n",
+      "                             L2:  6.3068e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0846e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1496e-07 (  1%) \n",
+      "                      Smooth_w3:  2.8444e-07 (  4%) \n",
+      " Number of params.:    142           Avg. time:     307.09 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.03                 3.03                 2.33                    2.33\n",
+      "    MAE:            2.56                 2.56                 1.13                    1.13\n",
+      " MAX_AE:            8.58                 8.58                16.08                   16.08\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:20,833 - tensorpotential.fit - INFO - Iteration:  #161  (174 evals):      Loss: 0.000008 | RMSE Energy(low): 3.03 (3.03) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 293.21 mcs/at\n",
+      "2021-02-26 12:54:21,056 - tensorpotential.fit - INFO - Iteration:  #162  (176 evals):      Loss: 0.000008 | RMSE Energy(low): 3.03 (3.03) meV/at | Forces(low): 2.30 (2.30) meV/A | Time/eval: 321.49 mcs/at\n",
+      "2021-02-26 12:54:21,188 - tensorpotential.fit - INFO - Iteration:  #163  (177 evals):      Loss: 0.000008 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.27 (2.27) meV/A | Time/eval: 324.46 mcs/at\n",
+      "2021-02-26 12:54:21,314 - tensorpotential.fit - INFO - Iteration:  #164  (178 evals):      Loss: 0.000008 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.25 (2.25) meV/A | Time/eval: 311.64 mcs/at\n",
+      "2021-02-26 12:54:21,422 - tensorpotential.fit - INFO - Iteration:  #165  (179 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 261.39 mcs/at\n",
+      "2021-02-26 12:54:21,527 - tensorpotential.fit - INFO - Iteration:  #166  (180 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 252.78 mcs/at\n",
+      "2021-02-26 12:54:21,643 - tensorpotential.fit - INFO - Iteration:  #167  (181 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 284.08 mcs/at\n",
+      "2021-02-26 12:54:21,748 - tensorpotential.fit - INFO - Iteration:  #168  (182 evals):      Loss: 0.000008 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.16 (2.16) meV/A | Time/eval: 256.27 mcs/at\n",
+      "2021-02-26 12:54:21,880 - tensorpotential.fit - INFO - Iteration:  #169  (183 evals):      Loss: 0.000008 | RMSE Energy(low): 3.02 (3.02) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 325.10 mcs/at\n",
+      "2021-02-26 12:54:21,994 - tensorpotential.fit - INFO - Iteration:  #170  (184 evals):      Loss: 0.000007 | RMSE Energy(low): 3.02 (3.02) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 279.95 mcs/at\n",
+      "2021-02-26 12:54:22,114 - tensorpotential.fit - INFO - Iteration:  #171  (185 evals):      Loss: 0.000007 | RMSE Energy(low): 3.01 (3.01) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 295.68 mcs/at\n",
+      "2021-02-26 12:54:22,262 - tensorpotential.fit - INFO - Iteration:  #172  (186 evals):      Loss: 0.000007 | RMSE Energy(low): 2.99 (2.99) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 370.05 mcs/at\n",
+      "2021-02-26 12:54:22,527 - tensorpotential.fit - INFO - Iteration:  #173  (188 evals):      Loss: 0.000007 | RMSE Energy(low): 2.98 (2.98) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 248.31 mcs/at\n",
+      "2021-02-26 12:54:22,674 - tensorpotential.fit - INFO - Iteration:  #174  (189 evals):      Loss: 0.000007 | RMSE Energy(low): 3.00 (3.00) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 331.88 mcs/at\n",
+      "2021-02-26 12:54:22,806 - tensorpotential.fit - INFO - Iteration:  #175  (190 evals):      Loss: 0.000007 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.11 (2.11) meV/A | Time/eval: 330.08 mcs/at\n",
+      "2021-02-26 12:54:22,923 - tensorpotential.fit - INFO - Iteration:  #176  (191 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.08 (2.08) meV/A | Time/eval: 274.15 mcs/at\n",
+      "2021-02-26 12:54:23,046 - tensorpotential.fit - INFO - Iteration:  #177  (192 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.06 (2.06) meV/A | Time/eval: 311.51 mcs/at\n",
+      "2021-02-26 12:54:23,161 - tensorpotential.fit - INFO - Iteration:  #178  (193 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.05 (2.05) meV/A | Time/eval: 271.79 mcs/at\n",
+      "2021-02-26 12:54:23,252 - tensorpotential.fit - INFO - Iteration:  #179  (194 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.04 (2.04) meV/A | Time/eval: 209.77 mcs/at\n",
+      "2021-02-26 12:54:23,446 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #180 Loss:    Total:  7.3102e-06 (100%) \n",
+      "                         Energy:  4.7151e-06 ( 65%) \n",
+      "                          Force:  2.0239e-06 ( 28%) \n",
+      "                             L1:  8.9332e-10 (  0%) \n",
+      "                             L2:  6.3673e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0773e-07 (  1%) \n",
+      "                      Smooth_w2:  1.2152e-07 (  2%) \n",
+      "                      Smooth_w3:  3.4092e-07 (  5%) \n",
+      " Number of params.:    142           Avg. time:     305.26 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.07                 3.07                 2.01                    2.01\n",
+      "    MAE:            2.57                 2.57                 0.91                    0.91\n",
+      " MAX_AE:            7.86                 7.86                13.40                   13.40\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:23,553 - tensorpotential.fit - INFO - Iteration:  #181  (197 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.01 (2.01) meV/A | Time/eval: 272.59 mcs/at\n",
+      "2021-02-26 12:54:23,663 - tensorpotential.fit - INFO - Iteration:  #182  (198 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.99 (1.99) meV/A | Time/eval: 282.40 mcs/at\n",
+      "2021-02-26 12:54:23,779 - tensorpotential.fit - INFO - Iteration:  #183  (199 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.99 (1.99) meV/A | Time/eval: 294.27 mcs/at\n",
+      "2021-02-26 12:54:23,898 - tensorpotential.fit - INFO - Iteration:  #184  (200 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.00 (2.00) meV/A | Time/eval: 292.58 mcs/at\n",
+      "2021-02-26 12:54:24,116 - tensorpotential.fit - INFO - Iteration:  #185  (202 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.00 (2.00) meV/A | Time/eval: 274.03 mcs/at\n",
+      "2021-02-26 12:54:24,235 - tensorpotential.fit - INFO - Iteration:  #186  (203 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.02 (2.02) meV/A | Time/eval: 293.92 mcs/at\n",
+      "2021-02-26 12:54:24,357 - tensorpotential.fit - INFO - Iteration:  #187  (204 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.02 (2.02) meV/A | Time/eval: 304.92 mcs/at\n",
+      "2021-02-26 12:54:24,497 - tensorpotential.fit - INFO - Iteration:  #188  (205 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.02 (2.02) meV/A | Time/eval: 353.64 mcs/at\n",
+      "2021-02-26 12:54:24,617 - tensorpotential.fit - INFO - Iteration:  #189  (206 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.01 (2.01) meV/A | Time/eval: 296.46 mcs/at\n",
+      "2021-02-26 12:54:24,833 - tensorpotential.fit - INFO - Iteration:  #190  (208 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.00 (2.00) meV/A | Time/eval: 271.83 mcs/at\n",
+      "2021-02-26 12:54:24,978 - tensorpotential.fit - INFO - Iteration:  #191  (209 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 1.98 (1.98) meV/A | Time/eval: 360.49 mcs/at\n",
+      "2021-02-26 12:54:25,121 - tensorpotential.fit - INFO - Iteration:  #192  (210 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.96 (1.96) meV/A | Time/eval: 340.67 mcs/at\n",
+      "2021-02-26 12:54:25,258 - tensorpotential.fit - INFO - Iteration:  #193  (211 evals):      Loss: 0.000007 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 1.93 (1.93) meV/A | Time/eval: 337.40 mcs/at\n",
+      "2021-02-26 12:54:25,394 - tensorpotential.fit - INFO - Iteration:  #194  (212 evals):      Loss: 0.000007 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 1.92 (1.92) meV/A | Time/eval: 320.04 mcs/at\n",
+      "2021-02-26 12:54:25,624 - tensorpotential.fit - INFO - Iteration:  #195  (214 evals):      Loss: 0.000007 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 1.92 (1.92) meV/A | Time/eval: 322.36 mcs/at\n",
+      "2021-02-26 12:54:25,773 - tensorpotential.fit - INFO - Iteration:  #196  (215 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.92 (1.92) meV/A | Time/eval: 371.92 mcs/at\n",
+      "2021-02-26 12:54:25,932 - tensorpotential.fit - INFO - Iteration:  #197  (216 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 1.95 (1.95) meV/A | Time/eval: 376.20 mcs/at\n",
+      "2021-02-26 12:54:26,055 - tensorpotential.fit - INFO - Iteration:  #198  (217 evals):      Loss: 0.000007 | RMSE Energy(low): 2.99 (2.99) meV/at | Forces(low): 2.01 (2.01) meV/A | Time/eval: 318.27 mcs/at\n",
+      "2021-02-26 12:54:26,198 - tensorpotential.fit - INFO - Iteration:  #199  (218 evals):      Loss: 0.000007 | RMSE Energy(low): 2.93 (2.93) meV/at | Forces(low): 2.09 (2.09) meV/A | Time/eval: 325.13 mcs/at\n",
+      "2021-02-26 12:54:26,486 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #200 Loss:    Total:  7.0140e-06 (100%) \n",
+      "                         Energy:  4.1902e-06 ( 60%) \n",
+      "                          Force:  2.2582e-06 ( 32%) \n",
+      "                             L1:  8.5879e-10 (  0%) \n",
+      "                             L2:  5.7199e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0756e-07 (  2%) \n",
+      "                      Smooth_w2:  1.2053e-07 (  2%) \n",
+      "                      Smooth_w3:  3.3656e-07 (  5%) \n",
+      " Number of params.:    142           Avg. time:     306.81 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            2.89                 2.89                 2.13                    2.13\n",
+      "    MAE:            2.48                 2.48                 0.95                    0.95\n",
+      " MAX_AE:            7.52                 7.52                14.51                   14.51\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:26,709 - tensorpotential.fit - INFO - Iteration:  #201  (221 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.13 (2.13) meV/A | Time/eval: 556.23 mcs/at\n",
+      "2021-02-26 12:54:26,866 - tensorpotential.fit - INFO - Iteration:  #202  (222 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.13 (2.13) meV/A | Time/eval: 372.02 mcs/at\n",
+      "2021-02-26 12:54:26,994 - tensorpotential.fit - INFO - Iteration:  #203  (223 evals):      Loss: 0.000007 | RMSE Energy(low): 2.89 (2.89) meV/at | Forces(low): 2.12 (2.12) meV/A | Time/eval: 308.17 mcs/at\n",
+      "2021-02-26 12:54:27,139 - tensorpotential.fit - INFO - Iteration:  #204  (224 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.11 (2.11) meV/A | Time/eval: 350.95 mcs/at\n",
+      "2021-02-26 12:54:27,292 - tensorpotential.fit - INFO - Iteration:  #205  (225 evals):      Loss: 0.000007 | RMSE Energy(low): 2.89 (2.89) meV/at | Forces(low): 2.08 (2.08) meV/A | Time/eval: 390.65 mcs/at\n",
+      "2021-02-26 12:54:27,427 - tensorpotential.fit - INFO - Iteration:  #206  (226 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.07 (2.07) meV/A | Time/eval: 309.15 mcs/at\n",
+      "2021-02-26 12:54:27,666 - tensorpotential.fit - INFO - Iteration:  #207  (228 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.05 (2.05) meV/A | Time/eval: 275.17 mcs/at\n",
+      "2021-02-26 12:54:27,885 - tensorpotential.fit - INFO - Iteration:  #208  (230 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.04 (2.04) meV/A | Time/eval: 294.34 mcs/at\n",
+      "2021-02-26 12:54:28,018 - tensorpotential.fit - INFO - Iteration:  #209  (231 evals):      Loss: 0.000007 | RMSE Energy(low): 2.86 (2.86) meV/at | Forces(low): 2.06 (2.06) meV/A | Time/eval: 331.88 mcs/at\n",
+      "2021-02-26 12:54:28,137 - tensorpotential.fit - INFO - Iteration:  #210  (232 evals):      Loss: 0.000007 | RMSE Energy(low): 2.85 (2.85) meV/at | Forces(low): 2.07 (2.07) meV/A | Time/eval: 292.59 mcs/at\n",
+      "2021-02-26 12:54:28,265 - tensorpotential.fit - INFO - Iteration:  #211  (233 evals):      Loss: 0.000007 | RMSE Energy(low): 2.84 (2.84) meV/at | Forces(low): 2.08 (2.08) meV/A | Time/eval: 320.34 mcs/at\n",
+      "2021-02-26 12:54:28,424 - tensorpotential.fit - INFO - Iteration:  #212  (234 evals):      Loss: 0.000007 | RMSE Energy(low): 2.83 (2.83) meV/at | Forces(low): 2.07 (2.07) meV/A | Time/eval: 403.55 mcs/at\n",
+      "2021-02-26 12:54:28,534 - tensorpotential.fit - INFO - Iteration:  #213  (235 evals):      Loss: 0.000007 | RMSE Energy(low): 2.81 (2.81) meV/at | Forces(low): 2.10 (2.10) meV/A | Time/eval: 271.62 mcs/at\n",
+      "2021-02-26 12:54:28,659 - tensorpotential.fit - INFO - Iteration:  #214  (236 evals):      Loss: 0.000007 | RMSE Energy(low): 2.80 (2.80) meV/at | Forces(low): 2.10 (2.10) meV/A | Time/eval: 307.97 mcs/at\n",
+      "2021-02-26 12:54:28,890 - tensorpotential.fit - INFO - Iteration:  #215  (238 evals):      Loss: 0.000007 | RMSE Energy(low): 2.79 (2.79) meV/at | Forces(low): 2.09 (2.09) meV/A | Time/eval: 248.56 mcs/at\n",
+      "2021-02-26 12:54:29,046 - tensorpotential.fit - INFO - Iteration:  #216  (239 evals):      Loss: 0.000007 | RMSE Energy(low): 2.78 (2.78) meV/at | Forces(low): 2.10 (2.10) meV/A | Time/eval: 393.97 mcs/at\n",
+      "2021-02-26 12:54:29,175 - tensorpotential.fit - INFO - Iteration:  #217  (240 evals):      Loss: 0.000007 | RMSE Energy(low): 2.74 (2.74) meV/at | Forces(low): 2.14 (2.14) meV/A | Time/eval: 320.27 mcs/at\n",
+      "2021-02-26 12:54:29,306 - tensorpotential.fit - INFO - Iteration:  #218  (241 evals):      Loss: 0.000007 | RMSE Energy(low): 2.70 (2.70) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 325.57 mcs/at\n",
+      "2021-02-26 12:54:29,409 - tensorpotential.fit - INFO - Iteration:  #219  (242 evals):      Loss: 0.000007 | RMSE Energy(low): 2.69 (2.69) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 235.40 mcs/at\n",
+      "2021-02-26 12:54:29,504 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #220 Loss:    Total:  6.7293e-06 (100%) \n",
+      "                         Energy:  3.5969e-06 ( 53%) \n",
+      "                          Force:  2.4122e-06 ( 36%) \n",
+      "                             L1:  9.3694e-10 (  0%) \n",
+      "                             L2:  7.0250e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0690e-07 (  2%) \n",
+      "                      Smooth_w2:  1.4486e-07 (  2%) \n",
+      "                      Smooth_w3:  4.6753e-07 (  7%) \n",
+      " Number of params.:    142           Avg. time:     308.61 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            2.68                 2.68                 2.20                    2.20\n",
+      "    MAE:            2.29                 2.29                 0.93                    0.93\n",
+      " MAX_AE:            7.36                 7.36                15.79                   15.79\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:29,623 - tensorpotential.fit - INFO - Iteration:  #221  (244 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 304.14 mcs/at\n",
+      "2021-02-26 12:54:29,773 - tensorpotential.fit - INFO - Iteration:  #222  (245 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 361.30 mcs/at\n",
+      "2021-02-26 12:54:29,970 - tensorpotential.fit - INFO - Iteration:  #223  (246 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.23 (2.23) meV/A | Time/eval: 504.09 mcs/at\n",
+      "2021-02-26 12:54:30,155 - tensorpotential.fit - INFO - Iteration:  #224  (247 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 473.03 mcs/at\n",
+      "2021-02-26 12:54:30,306 - tensorpotential.fit - INFO - Iteration:  #225  (248 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 358.01 mcs/at\n",
+      "2021-02-26 12:54:30,452 - tensorpotential.fit - INFO - Iteration:  #226  (249 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 354.89 mcs/at\n",
+      "2021-02-26 12:54:30,592 - tensorpotential.fit - INFO - Iteration:  #227  (250 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 345.68 mcs/at\n",
+      "2021-02-26 12:54:30,718 - tensorpotential.fit - INFO - Iteration:  #228  (251 evals):      Loss: 0.000007 | RMSE Energy(low): 2.68 (2.68) meV/at | Forces(low): 2.14 (2.14) meV/A | Time/eval: 316.90 mcs/at\n",
+      "2021-02-26 12:54:30,908 - tensorpotential.fit - INFO - Iteration:  #229  (252 evals):      Loss: 0.000007 | RMSE Energy(low): 2.67 (2.67) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 476.54 mcs/at\n",
+      "2021-02-26 12:54:31,061 - tensorpotential.fit - INFO - Iteration:  #230  (253 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 373.94 mcs/at\n",
+      "2021-02-26 12:54:31,203 - tensorpotential.fit - INFO - Iteration:  #231  (254 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 354.31 mcs/at\n",
+      "2021-02-26 12:54:31,316 - tensorpotential.fit - INFO - Iteration:  #232  (255 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 276.74 mcs/at\n",
+      "2021-02-26 12:54:31,459 - tensorpotential.fit - INFO - Iteration:  #233  (256 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 350.06 mcs/at\n",
+      "2021-02-26 12:54:31,596 - tensorpotential.fit - INFO - Iteration:  #234  (257 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.16 (2.16) meV/A | Time/eval: 343.09 mcs/at\n",
+      "2021-02-26 12:54:31,718 - tensorpotential.fit - INFO - Iteration:  #235  (258 evals):      Loss: 0.000007 | RMSE Energy(low): 2.63 (2.63) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 303.71 mcs/at\n",
+      "2021-02-26 12:54:31,854 - tensorpotential.fit - INFO - Iteration:  #236  (259 evals):      Loss: 0.000007 | RMSE Energy(low): 2.62 (2.62) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 335.94 mcs/at\n",
+      "2021-02-26 12:54:31,990 - tensorpotential.fit - INFO - Iteration:  #237  (260 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 339.61 mcs/at\n",
+      "2021-02-26 12:54:32,091 - tensorpotential.fit - INFO - Iteration:  #238  (261 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 250.54 mcs/at\n",
+      "2021-02-26 12:54:32,193 - tensorpotential.fit - INFO - Iteration:  #239  (262 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 246.65 mcs/at\n",
+      "2021-02-26 12:54:32,305 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #240 Loss:    Total:  6.6306e-06 (100%) \n",
+      "                         Energy:  3.3547e-06 ( 51%) \n",
+      "                          Force:  2.4012e-06 ( 36%) \n",
+      "                             L1:  1.0825e-09 (  0%) \n",
+      "                             L2:  9.8235e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0867e-07 (  2%) \n",
+      "                      Smooth_w2:  1.6939e-07 (  3%) \n",
+      "                      Smooth_w3:  5.9547e-07 (  9%) \n",
+      " Number of params.:    142           Avg. time:     311.80 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            2.59                 2.59                 2.19                    2.19\n",
+      "    MAE:            2.14                 2.14                 0.91                    0.91\n",
+      " MAX_AE:            7.46                 7.46                16.23                   16.23\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:32,403 - tensorpotential.fit - INFO - Iteration:  #241  (264 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 237.12 mcs/at\n",
+      "2021-02-26 12:54:32,527 - tensorpotential.fit - INFO - Iteration:  #242  (265 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 320.62 mcs/at\n",
+      "2021-02-26 12:54:32,627 - tensorpotential.fit - INFO - Iteration:  #243  (266 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 241.83 mcs/at\n",
+      "2021-02-26 12:54:32,741 - tensorpotential.fit - INFO - Iteration:  #244  (267 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 289.75 mcs/at\n",
+      "2021-02-26 12:54:32,901 - tensorpotential.fit - INFO - Iteration:  #245  (268 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 403.35 mcs/at\n",
+      "2021-02-26 12:54:33,030 - tensorpotential.fit - INFO - Iteration:  #246  (269 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 325.72 mcs/at\n",
+      "2021-02-26 12:54:33,175 - tensorpotential.fit - INFO - Iteration:  #247  (270 evals):      Loss: 0.000007 | RMSE Energy(low): 2.58 (2.58) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 358.56 mcs/at\n",
+      "2021-02-26 12:54:33,297 - tensorpotential.fit - INFO - Iteration:  #248  (271 evals):      Loss: 0.000007 | RMSE Energy(low): 2.57 (2.57) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 305.48 mcs/at\n",
+      "2021-02-26 12:54:33,452 - tensorpotential.fit - INFO - Iteration:  #249  (272 evals):      Loss: 0.000007 | RMSE Energy(low): 2.57 (2.57) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 392.12 mcs/at\n",
+      "2021-02-26 12:54:33,586 - tensorpotential.fit - INFO - Iteration:  #250  (273 evals):      Loss: 0.000007 | RMSE Energy(low): 2.56 (2.56) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 334.34 mcs/at\n",
+      "2021-02-26 12:54:33,601 - pyace.generalfit - INFO - Fitting cycle finished, final statistic:\n",
+      "2021-02-26 12:54:33,602 - tensorpotential.fit - INFO - Last iteration:#251  (273 evals):      Loss: 0.000007 | RMSE Energy(low): 2.56 (2.56) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 334.34 mcs/at\n",
+      "2021-02-26 12:54:33,602 - pyace.generalfit - DEBUG - Update current_bbasisconfig.metadata = MapStringString{_fit_cycles: 1, _loss: 6.62391848662654e-06, pyiron_job_id: 80, starttime: 2021-02-26 12:53:26.501740, user: yury}\n",
+      "2021-02-26 12:54:33,602 - pyace.generalfit - INFO - Select best fit #1 among all available (1)\n",
+      "2021-02-26 12:54:33,602 - pyace.generalfit - INFO - Best fitting attempt is #1\n",
+      "2021-02-26 12:54:33,607 - pyace.generalfit - INFO - Intermediate potential saved in interim_potential.yaml\n",
+      "2021-02-26 12:54:33,608 - pyace.generalfit - INFO - Fitting done\n",
+      "2021-02-26 12:54:33,608 - pyace.generalfit - DEBUG - Update metadata: MapStringString{_loss: 6.62391848662654e-06, intermediate_time: 2021-02-26 12:54:33.603019, pyiron_job_id: 80, starttime: 2021-02-26 12:53:26.501740, user: yury}\n",
+      "2021-02-26 12:54:33,614 - pyace.generalfit - INFO - Final potential is saved to output_potential.yaml\n",
+      "Warning: Maximum number of iterations has been exceeded.\n",
+      "         Current function value: 0.000007\n",
+      "         Iterations: 250\n",
+      "         Function evaluations: 273\n",
+      "         Gradient evaluations: 273\n",
+      "Fitting took  62.62 seconds\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:54:34,530 - pyiron_log - INFO - job: df1_cut5 id: 80, status: collect, output: \n",
+      "CommandNotFoundError: Your shell has not been properly configured to use 'conda activate'.\n",
+      "To initialize your shell, run\n",
+      "\n",
+      "    $ conda init <SHELL_NAME>\n",
+      "\n",
+      "Currently supported shells are:\n",
+      "  - bash\n",
+      "  - fish\n",
+      "  - tcsh\n",
+      "  - xonsh\n",
+      "  - zsh\n",
+      "  - powershell\n",
+      "\n",
+      "See 'conda init --help' for more information and options.\n",
+      "\n",
+      "IMPORTANT: You may need to close and restart your shell after running 'conda init'.\n",
+      "\n",
+      "\n",
+      "2021-02-26 12:53:25,934 - root - INFO - Redirecting log into file log.txt\n",
+      "2021-02-26 12:53:25,934 - root - INFO - Start pacemaker\n",
+      "2021-02-26 12:53:25,935 - root - INFO - Loading input.yaml... \n",
+      "2021-02-26 12:53:25,943 - root - WARNING - No 'seed' provided in YAML file, default value seed = 42 will be used.\n",
+      "2021-02-26 12:53:25,943 - root - INFO - Using default BBasis functions list from /home/yury/anaconda3/lib/python3.7/site-packages/pyace-0.0.1-py3.7-linux-x86_64.egg/pyace/pyace_selected_bbasis_funcspec.pckl.gzip\n",
+      "2021-02-26 12:53:25,943 - pyace.generalfit - INFO - Set numpy random seed to 42\n",
+      "2021-02-26 12:53:26,368 - numexpr.utils - INFO - NumExpr defaulting to 8 threads.\n",
+      "2021-02-26 12:53:26,501 - pyace.generalfit - INFO - Target potential shape constructed from dictionary, it contains 26 functions\n",
+      "2021-02-26 12:53:26,502 - pyace.generalfit - INFO - User name automatically identified: yury\n",
+      "2021-02-26 12:53:27,784 - pyace.preparedata - INFO - Search for cache ref-file: /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:27,784 - pyace.preparedata - INFO - /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip found, try to load\n",
+      "2021-02-26 12:53:27,784 - pyace.preparedata - INFO - Loading dataframe from pickle file: /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Setting up structures dataframe - please be patient...\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Processing structures dataframe. Shape: (105, 6)\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Total number of atoms: 368\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - Mean number of atoms per structure: 3.5047619047619047\n",
+      "2021-02-26 12:53:27,789 - pyace.preparedata - INFO - 'energy' columns found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'forces' columns found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'pbc' columns found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'cell' column found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'energy_corrected' column found\n",
+      "2021-02-26 12:53:27,790 - pyace.preparedata - INFO - 'energy_corrected_per_atom' column extraction\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Min energy per atom: -3.699842546498985\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Max energy per atom: -3.4944269131010515\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Min abs energy per atom: 3.4944269131010515\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Max abs energy per atom: 3.699842546498985\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - ASE atoms ('ase_atoms' column) are already in dataframe\n",
+      "2021-02-26 12:53:27,791 - pyace.preparedata - INFO - Atomic environment representation construction...\n",
+      "2021-02-26 12:53:27,792 - pyace.preparedata - INFO - Building 'tp_atoms'...\n",
+      "2021-02-26 12:53:27,792 - pyace.preparedata - INFO - Dataframe size before transform: 105\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Dataframe size after transform: 105\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Atomic environment representation construction...done within 2.933393716812134 sec (7.971178578293842 ms/atom)\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Saving processed raw dataframe into /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:30,725 - pyace.preparedata - INFO - Writing fit pickle file: /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:30,824 - pyace.preparedata - INFO - Saved to file /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df_fit.pckl.gzip\n",
+      "2021-02-26 12:53:30,824 - pyace.preparedata - INFO - No weighting policy is specified, setting default weighting policy\n",
+      "2021-02-26 12:53:30,824 - pyace.preparedata - INFO - Apply weights policy: UniformWeightingPolicy()\n",
+      "2021-02-26 12:53:30,847 - pyace.generalfit - INFO - Fitting dataset info saved into fitting_data_info.csv\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Fitting dataset size: 105 structures / 368 atoms\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - 'Single-shot' fitting\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Cycle fitting loop\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Number of fit attempts: 1/1\n",
+      "2021-02-26 12:53:30,900 - pyace.generalfit - INFO - Total number of functions: 26 / number of parameters: 142\n",
+      "2021-02-26 12:53:30,901 - pyace.generalfit - INFO - Running fit backend\n",
+      "2021-02-26 12:53:30,938 - pyace.fitadapter - INFO - Loss function specification: LossFunctionSpecification(kappa=0.5, L1=5e-10, w1_coeffs=1, L2=5e-10, w2_coeffs=1, DeltaRad=(1e-07, 1e-07, 1e-07))\n",
+      "2021-02-26 12:53:30,938 - pyace.fitadapter - INFO - Batch size: 1000\n",
+      "2021-02-26 12:53:30.950911: I tensorflow/core/platform/cpu_feature_guard.cc:143] Your CPU supports instructions that this TensorFlow binary was not compiled to use: SSE4.1 SSE4.2 AVX AVX2 FMA\n",
+      "2021-02-26 12:53:30.974401: I tensorflow/core/platform/profile_utils/cpu_utils.cc:102] CPU Frequency: 2599990000 Hz\n",
+      "2021-02-26 12:53:30.974862: I tensorflow/compiler/xla/service/service.cc:168] XLA service 0x56396806b4b0 initialized for platform Host (this does not guarantee that XLA will be used). Devices:\n",
+      "2021-02-26 12:53:30.974895: I tensorflow/compiler/xla/service/service.cc:176]   StreamExecutor device (0): Host, Default Version\n",
+      "2021-02-26 12:53:30.974990: I tensorflow/core/common_runtime/process_util.cc:147] Creating new thread pool with default inter op setting: 2. Tune using inter_op_parallelism_threads for best performance.\n",
+      "2021-02-26 12:53:30,986 - tensorpotential.fit - INFO - Minimizer options: {'gtol': 1e-08, 'disp': True, 'maxiter': 250}\n",
+      "2021-02-26 12:53:39,074 - tensorflow - WARNING - Calling GradientTape.gradient on a persistent tape inside its context is significantly less efficient than calling it outside the context (it causes the gradient ops to be recorded on the tape, leading to increased CPU and memory usage). Only call GradientTape.gradient inside the context if you actually want to trace the gradient in order to compute higher order derivatives.\n",
+      "/home/yury/anaconda3/lib/python3.7/site-packages/tensorflow/python/framework/indexed_slices.py:434: UserWarning: Converting sparse IndexedSlices to a dense Tensor of unknown shape. This may consume a large amount of memory.\n",
+      "  \"Converting sparse IndexedSlices to a dense Tensor of unknown shape. \"\n",
+      "2021-02-26 12:53:59,220 - tensorpotential.fit - INFO - Initial state:                      Loss: 6.684830 | RMSE Energy(low): 3656.45 (3656.45) meV/at\n",
+      "/home/yury/anaconda3/lib/python3.7/site-packages/numpy/core/fromnumeric.py:3335: RuntimeWarning: Mean of empty slice.\n",
+      "  out=out, **kwargs)\n",
+      "/home/yury/anaconda3/lib/python3.7/site-packages/numpy/core/_methods.py:161: RuntimeWarning: invalid value encountered in double_scalars\n",
+      "  ret = ret.dtype.type(ret / rcount)\n",
+      "2021-02-26 12:53:59,222 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #0   Loss:    Total:  6.6848e+00 (100%) \n",
+      "                         Energy:  6.6848e+00 (100%) \n",
+      "                          Force:  2.4852e-05 (  0%) \n",
+      "                             L1:  2.6000e-28 (  0%) \n",
+      "                             L2:  2.6000e-48 (  0%) \n",
+      "                      Smooth_w1:  1.0717e-07 (  0%) \n",
+      "                      Smooth_w2:  1.0336e-07 (  0%) \n",
+      "                      Smooth_w3:  9.0044e-08 (  0%) \n",
+      " Number of params.:    142           Avg. time:        nan mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:         3656.45              3656.45                 7.05                    7.05\n",
+      "    MAE:         3656.24              3656.24                 2.01                    2.01\n",
+      " MAX_AE:         3699.84              3699.84                50.24                   50.24\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:53:59,572 - tensorpotential.fit - INFO - Iteration:  #1    (4 evals):        Loss: 0.303602 | RMSE Energy(low): 779.13 (779.13) meV/at | Forces(low): 12.96 (12.96) meV/A | Time/eval: 339.06 mcs/at\n",
+      "2021-02-26 12:53:59,826 - tensorpotential.fit - INFO - Iteration:  #2    (6 evals):        Loss: 0.200510 | RMSE Energy(low): 633.15 (633.15) meV/at | Forces(low): 11.86 (11.86) meV/A | Time/eval: 293.73 mcs/at\n",
+      "2021-02-26 12:53:59,957 - tensorpotential.fit - INFO - Iteration:  #3    (7 evals):        Loss: 0.094479 | RMSE Energy(low): 434.63 (434.63) meV/at | Forces(low): 7.26 (7.26) meV/A | Time/eval: 313.14 mcs/at\n",
+      "2021-02-26 12:54:00,099 - tensorpotential.fit - INFO - Iteration:  #4    (8 evals):        Loss: 0.031613 | RMSE Energy(low): 251.34 (251.34) meV/at | Forces(low): 7.09 (7.09) meV/A | Time/eval: 351.56 mcs/at\n",
+      "2021-02-26 12:54:00,220 - tensorpotential.fit - INFO - Iteration:  #5    (9 evals):        Loss: 0.001731 | RMSE Energy(low): 56.97 (56.97) meV/at | Forces(low): 14.68 (14.68) meV/A | Time/eval: 298.28 mcs/at\n",
+      "2021-02-26 12:54:00,477 - tensorpotential.fit - INFO - Iteration:  #6    (11 evals):       Loss: 0.001611 | RMSE Energy(low): 54.83 (54.83) meV/at | Forces(low): 14.70 (14.70) meV/A | Time/eval: 307.79 mcs/at\n",
+      "2021-02-26 12:54:00,614 - tensorpotential.fit - INFO - Iteration:  #7    (12 evals):       Loss: 0.001392 | RMSE Energy(low): 50.62 (50.62) meV/at | Forces(low): 14.84 (14.84) meV/A | Time/eval: 321.79 mcs/at\n",
+      "2021-02-26 12:54:00,751 - tensorpotential.fit - INFO - Iteration:  #8    (13 evals):       Loss: 0.001051 | RMSE Energy(low): 43.27 (43.27) meV/at | Forces(low): 15.13 (15.13) meV/A | Time/eval: 339.71 mcs/at\n",
+      "2021-02-26 12:54:00,861 - tensorpotential.fit - INFO - Iteration:  #9    (14 evals):       Loss: 0.000882 | RMSE Energy(low): 39.02 (39.02) meV/at | Forces(low): 15.51 (15.51) meV/A | Time/eval: 270.58 mcs/at\n",
+      "2021-02-26 12:54:00,978 - tensorpotential.fit - INFO - Iteration:  #10   (15 evals):       Loss: 0.000841 | RMSE Energy(low): 37.96 (37.96) meV/at | Forces(low): 15.52 (15.52) meV/A | Time/eval: 285.75 mcs/at\n",
+      "2021-02-26 12:54:01,082 - tensorpotential.fit - INFO - Iteration:  #11   (16 evals):       Loss: 0.000768 | RMSE Energy(low): 36.02 (36.02) meV/at | Forces(low): 15.42 (15.42) meV/A | Time/eval: 237.66 mcs/at\n",
+      "2021-02-26 12:54:01,198 - tensorpotential.fit - INFO - Iteration:  #12   (17 evals):       Loss: 0.000649 | RMSE Energy(low): 32.76 (32.76) meV/at | Forces(low): 14.99 (14.99) meV/A | Time/eval: 281.62 mcs/at\n",
+      "2021-02-26 12:54:01,328 - tensorpotential.fit - INFO - Iteration:  #13   (18 evals):       Loss: 0.000524 | RMSE Energy(low): 29.27 (29.27) meV/at | Forces(low): 13.78 (13.78) meV/A | Time/eval: 318.84 mcs/at\n",
+      "2021-02-26 12:54:01,450 - tensorpotential.fit - INFO - Iteration:  #14   (19 evals):       Loss: 0.000454 | RMSE Energy(low): 27.45 (27.45) meV/at | Forces(low): 12.43 (12.43) meV/A | Time/eval: 301.21 mcs/at\n",
+      "2021-02-26 12:54:01,610 - tensorpotential.fit - INFO - Iteration:  #15   (20 evals):       Loss: 0.000349 | RMSE Energy(low): 24.51 (24.51) meV/at | Forces(low): 9.84 (9.84) meV/A | Time/eval: 402.17 mcs/at\n",
+      "2021-02-26 12:54:01,730 - tensorpotential.fit - INFO - Iteration:  #16   (21 evals):       Loss: 0.000270 | RMSE Energy(low): 21.39 (21.39) meV/at | Forces(low): 9.04 (9.04) meV/A | Time/eval: 294.00 mcs/at\n",
+      "2021-02-26 12:54:01,968 - tensorpotential.fit - INFO - Iteration:  #17   (23 evals):       Loss: 0.000254 | RMSE Energy(low): 20.71 (20.71) meV/at | Forces(low): 8.80 (8.80) meV/A | Time/eval: 298.24 mcs/at\n",
+      "2021-02-26 12:54:02,080 - tensorpotential.fit - INFO - Iteration:  #18   (24 evals):       Loss: 0.000230 | RMSE Energy(low): 19.65 (19.65) meV/at | Forces(low): 8.59 (8.59) meV/A | Time/eval: 278.67 mcs/at\n",
+      "2021-02-26 12:54:02,193 - tensorpotential.fit - INFO - Iteration:  #19   (25 evals):       Loss: 0.000202 | RMSE Energy(low): 18.23 (18.23) meV/at | Forces(low): 8.44 (8.44) meV/A | Time/eval: 276.77 mcs/at\n",
+      "2021-02-26 12:54:02,308 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #20  Loss:    Total:  1.6254e-04 (100%) \n",
+      "                         Energy:  1.3102e-04 ( 81%) \n",
+      "                          Force:  3.1092e-05 ( 19%) \n",
+      "                             L1:  7.8985e-10 (  0%) \n",
+      "                             L2:  6.2020e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0666e-07 (  0%) \n",
+      "                      Smooth_w2:  1.1100e-07 (  0%) \n",
+      "                      Smooth_w3:  2.0512e-07 (  0%) \n",
+      " Number of params.:    142           Avg. time:     304.37 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:           16.19                16.19                 7.89                    7.89\n",
+      "    MAE:            9.91                 9.91                 4.08                    4.08\n",
+      " MAX_AE:          112.64               112.64                42.20                   42.20\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:02,427 - tensorpotential.fit - INFO - Iteration:  #21   (27 evals):       Loss: 0.000140 | RMSE Energy(low): 14.83 (14.83) meV/at | Forces(low): 7.64 (7.64) meV/A | Time/eval: 292.81 mcs/at\n",
+      "2021-02-26 12:54:02,558 - tensorpotential.fit - INFO - Iteration:  #22   (28 evals):       Loss: 0.000133 | RMSE Energy(low): 14.40 (14.40) meV/at | Forces(low): 7.64 (7.64) meV/A | Time/eval: 330.55 mcs/at\n",
+      "2021-02-26 12:54:02,659 - tensorpotential.fit - INFO - Iteration:  #23   (29 evals):       Loss: 0.000127 | RMSE Energy(low): 14.01 (14.01) meV/at | Forces(low): 7.60 (7.60) meV/A | Time/eval: 245.98 mcs/at\n",
+      "2021-02-26 12:54:02,757 - tensorpotential.fit - INFO - Iteration:  #24   (30 evals):       Loss: 0.000118 | RMSE Energy(low): 13.37 (13.37) meV/at | Forces(low): 7.45 (7.45) meV/A | Time/eval: 249.06 mcs/at\n",
+      "2021-02-26 12:54:02,861 - tensorpotential.fit - INFO - Iteration:  #25   (31 evals):       Loss: 0.000102 | RMSE Energy(low): 12.31 (12.31) meV/at | Forces(low): 7.12 (7.12) meV/A | Time/eval: 268.60 mcs/at\n",
+      "2021-02-26 12:54:02,955 - tensorpotential.fit - INFO - Iteration:  #26   (32 evals):       Loss: 0.000085 | RMSE Energy(low): 11.17 (11.17) meV/at | Forces(low): 6.62 (6.62) meV/A | Time/eval: 239.79 mcs/at\n",
+      "2021-02-26 12:54:03,060 - tensorpotential.fit - INFO - Iteration:  #27   (33 evals):       Loss: 0.000079 | RMSE Energy(low): 10.77 (10.77) meV/at | Forces(low): 6.34 (6.34) meV/A | Time/eval: 270.46 mcs/at\n",
+      "2021-02-26 12:54:03,168 - tensorpotential.fit - INFO - Iteration:  #28   (34 evals):       Loss: 0.000074 | RMSE Energy(low): 10.46 (10.46) meV/at | Forces(low): 6.18 (6.18) meV/A | Time/eval: 276.94 mcs/at\n",
+      "2021-02-26 12:54:03,289 - tensorpotential.fit - INFO - Iteration:  #29   (35 evals):       Loss: 0.000073 | RMSE Energy(low): 10.38 (10.38) meV/at | Forces(low): 6.12 (6.12) meV/A | Time/eval: 307.80 mcs/at\n",
+      "2021-02-26 12:54:03,407 - tensorpotential.fit - INFO - Iteration:  #30   (36 evals):       Loss: 0.000073 | RMSE Energy(low): 10.29 (10.29) meV/at | Forces(low): 6.19 (6.19) meV/A | Time/eval: 286.34 mcs/at\n",
+      "2021-02-26 12:54:03,523 - tensorpotential.fit - INFO - Iteration:  #31   (37 evals):       Loss: 0.000072 | RMSE Energy(low): 10.22 (10.22) meV/at | Forces(low): 6.20 (6.20) meV/A | Time/eval: 264.44 mcs/at\n",
+      "2021-02-26 12:54:03,645 - tensorpotential.fit - INFO - Iteration:  #32   (38 evals):       Loss: 0.000071 | RMSE Energy(low): 10.11 (10.11) meV/at | Forces(low): 6.19 (6.19) meV/A | Time/eval: 311.46 mcs/at\n",
+      "2021-02-26 12:54:03,749 - tensorpotential.fit - INFO - Iteration:  #33   (39 evals):       Loss: 0.000069 | RMSE Energy(low): 9.92 (9.92) meV/at | Forces(low): 6.16 (6.16) meV/A | Time/eval: 235.69 mcs/at\n",
+      "2021-02-26 12:54:03,871 - tensorpotential.fit - INFO - Iteration:  #34   (40 evals):       Loss: 0.000065 | RMSE Energy(low): 9.56 (9.56) meV/at | Forces(low): 6.07 (6.07) meV/A | Time/eval: 280.99 mcs/at\n",
+      "2021-02-26 12:54:03,984 - tensorpotential.fit - INFO - Iteration:  #35   (41 evals):       Loss: 0.000058 | RMSE Energy(low): 8.90 (8.90) meV/at | Forces(low): 5.94 (5.94) meV/A | Time/eval: 253.21 mcs/at\n",
+      "2021-02-26 12:54:04,093 - tensorpotential.fit - INFO - Iteration:  #36   (42 evals):       Loss: 0.000049 | RMSE Energy(low): 7.98 (7.98) meV/at | Forces(low): 5.84 (5.84) meV/A | Time/eval: 263.82 mcs/at\n",
+      "2021-02-26 12:54:04,207 - tensorpotential.fit - INFO - Iteration:  #37   (43 evals):       Loss: 0.000046 | RMSE Energy(low): 7.48 (7.48) meV/at | Forces(low): 5.94 (5.94) meV/A | Time/eval: 277.82 mcs/at\n",
+      "2021-02-26 12:54:04,333 - tensorpotential.fit - INFO - Iteration:  #38   (44 evals):       Loss: 0.000041 | RMSE Energy(low): 6.96 (6.96) meV/at | Forces(low): 5.73 (5.73) meV/A | Time/eval: 297.36 mcs/at\n",
+      "2021-02-26 12:54:04,454 - tensorpotential.fit - INFO - Iteration:  #39   (45 evals):       Loss: 0.000036 | RMSE Energy(low): 6.74 (6.74) meV/at | Forces(low): 5.14 (5.14) meV/A | Time/eval: 296.20 mcs/at\n",
+      "2021-02-26 12:54:04,583 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #40  Loss:    Total:  3.5821e-05 (100%) \n",
+      "                         Energy:  2.4491e-05 ( 68%) \n",
+      "                          Force:  1.0850e-05 ( 30%) \n",
+      "                             L1:  9.5192e-10 (  0%) \n",
+      "                             L2:  8.2380e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0400e-07 (  0%) \n",
+      "                      Smooth_w2:  1.1627e-07 (  0%) \n",
+      "                      Smooth_w3:  2.5890e-07 (  1%) \n",
+      " Number of params.:    142           Avg. time:     291.27 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            7.00                 7.00                 4.66                    4.66\n",
+      "    MAE:            4.53                 4.53                 1.53                    1.53\n",
+      " MAX_AE:           46.90                46.90                31.24                   31.24\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:04,709 - tensorpotential.fit - INFO - Iteration:  #41   (47 evals):       Loss: 0.000035 | RMSE Energy(low): 6.89 (6.89) meV/at | Forces(low): 4.67 (4.67) meV/A | Time/eval: 314.61 mcs/at\n",
+      "2021-02-26 12:54:04,856 - tensorpotential.fit - INFO - Iteration:  #42   (48 evals):       Loss: 0.000035 | RMSE Energy(low): 6.83 (6.83) meV/at | Forces(low): 4.69 (4.69) meV/A | Time/eval: 371.32 mcs/at\n",
+      "2021-02-26 12:54:04,978 - tensorpotential.fit - INFO - Iteration:  #43   (49 evals):       Loss: 0.000034 | RMSE Energy(low): 6.76 (6.76) meV/at | Forces(low): 4.72 (4.72) meV/A | Time/eval: 298.70 mcs/at\n",
+      "2021-02-26 12:54:05,091 - tensorpotential.fit - INFO - Iteration:  #44   (50 evals):       Loss: 0.000034 | RMSE Energy(low): 6.60 (6.60) meV/at | Forces(low): 4.78 (4.78) meV/A | Time/eval: 275.15 mcs/at\n",
+      "2021-02-26 12:54:05,191 - tensorpotential.fit - INFO - Iteration:  #45   (51 evals):       Loss: 0.000032 | RMSE Energy(low): 6.34 (6.34) meV/at | Forces(low): 4.87 (4.87) meV/A | Time/eval: 237.63 mcs/at\n",
+      "2021-02-26 12:54:05,317 - tensorpotential.fit - INFO - Iteration:  #46   (52 evals):       Loss: 0.000031 | RMSE Energy(low): 6.02 (6.02) meV/at | Forces(low): 4.97 (4.97) meV/A | Time/eval: 310.74 mcs/at\n",
+      "2021-02-26 12:54:05,451 - tensorpotential.fit - INFO - Iteration:  #47   (53 evals):       Loss: 0.000030 | RMSE Energy(low): 5.70 (5.70) meV/at | Forces(low): 5.11 (5.11) meV/A | Time/eval: 335.74 mcs/at\n",
+      "2021-02-26 12:54:05,578 - tensorpotential.fit - INFO - Iteration:  #48   (54 evals):       Loss: 0.000029 | RMSE Energy(low): 5.67 (5.67) meV/at | Forces(low): 4.94 (4.94) meV/A | Time/eval: 318.67 mcs/at\n",
+      "2021-02-26 12:54:05,738 - tensorpotential.fit - INFO - Iteration:  #49   (55 evals):       Loss: 0.000027 | RMSE Energy(low): 5.80 (5.80) meV/at | Forces(low): 4.50 (4.50) meV/A | Time/eval: 403.02 mcs/at\n",
+      "2021-02-26 12:54:05,880 - tensorpotential.fit - INFO - Iteration:  #50   (56 evals):       Loss: 0.000027 | RMSE Energy(low): 5.88 (5.88) meV/at | Forces(low): 4.21 (4.21) meV/A | Time/eval: 355.52 mcs/at\n",
+      "2021-02-26 12:54:06,126 - tensorpotential.fit - INFO - Iteration:  #51   (58 evals):       Loss: 0.000026 | RMSE Energy(low): 5.93 (5.93) meV/at | Forces(low): 4.00 (4.00) meV/A | Time/eval: 316.18 mcs/at\n",
+      "2021-02-26 12:54:06,224 - tensorpotential.fit - INFO - Iteration:  #52   (59 evals):       Loss: 0.000025 | RMSE Energy(low): 5.88 (5.88) meV/at | Forces(low): 3.87 (3.87) meV/A | Time/eval: 233.44 mcs/at\n",
+      "2021-02-26 12:54:06,352 - tensorpotential.fit - INFO - Iteration:  #53   (60 evals):       Loss: 0.000024 | RMSE Energy(low): 5.74 (5.74) meV/at | Forces(low): 3.81 (3.81) meV/A | Time/eval: 317.43 mcs/at\n",
+      "2021-02-26 12:54:06,514 - tensorpotential.fit - INFO - Iteration:  #54   (61 evals):       Loss: 0.000024 | RMSE Energy(low): 5.65 (5.65) meV/at | Forces(low): 3.82 (3.82) meV/A | Time/eval: 412.65 mcs/at\n",
+      "2021-02-26 12:54:06,659 - tensorpotential.fit - INFO - Iteration:  #55   (62 evals):       Loss: 0.000024 | RMSE Energy(low): 5.61 (5.61) meV/at | Forces(low): 3.84 (3.84) meV/A | Time/eval: 342.66 mcs/at\n",
+      "2021-02-26 12:54:06,800 - tensorpotential.fit - INFO - Iteration:  #56   (63 evals):       Loss: 0.000023 | RMSE Energy(low): 5.58 (5.58) meV/at | Forces(low): 3.84 (3.84) meV/A | Time/eval: 356.49 mcs/at\n",
+      "2021-02-26 12:54:06,932 - tensorpotential.fit - INFO - Iteration:  #57   (64 evals):       Loss: 0.000023 | RMSE Energy(low): 5.55 (5.55) meV/at | Forces(low): 3.85 (3.85) meV/A | Time/eval: 330.43 mcs/at\n",
+      "2021-02-26 12:54:07,073 - tensorpotential.fit - INFO - Iteration:  #58   (65 evals):       Loss: 0.000023 | RMSE Energy(low): 5.51 (5.51) meV/at | Forces(low): 3.86 (3.86) meV/A | Time/eval: 328.28 mcs/at\n",
+      "2021-02-26 12:54:07,204 - tensorpotential.fit - INFO - Iteration:  #59   (66 evals):       Loss: 0.000023 | RMSE Energy(low): 5.46 (5.46) meV/at | Forces(low): 3.88 (3.88) meV/A | Time/eval: 319.43 mcs/at\n",
+      "2021-02-26 12:54:07,332 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #60  Loss:    Total:  2.2841e-05 (100%) \n",
+      "                         Energy:  1.4632e-05 ( 64%) \n",
+      "                          Force:  7.7111e-06 ( 34%) \n",
+      "                             L1:  1.0139e-09 (  0%) \n",
+      "                             L2:  9.1079e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0344e-07 (  0%) \n",
+      "                      Smooth_w2:  1.1771e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7585e-07 (  1%) \n",
+      " Number of params.:    142           Avg. time:     302.41 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            5.41                 5.41                 3.93                    3.93\n",
+      "    MAE:            4.25                 4.25                 1.44                    1.44\n",
+      " MAX_AE:           29.48                29.48                33.89                   33.89\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:07,464 - tensorpotential.fit - INFO - Iteration:  #61   (68 evals):       Loss: 0.000023 | RMSE Energy(low): 5.39 (5.39) meV/at | Forces(low): 3.95 (3.95) meV/A | Time/eval: 306.28 mcs/at\n",
+      "2021-02-26 12:54:07,607 - tensorpotential.fit - INFO - Iteration:  #62   (69 evals):       Loss: 0.000023 | RMSE Energy(low): 5.37 (5.37) meV/at | Forces(low): 3.97 (3.97) meV/A | Time/eval: 339.59 mcs/at\n",
+      "2021-02-26 12:54:07,725 - tensorpotential.fit - INFO - Iteration:  #63   (70 evals):       Loss: 0.000023 | RMSE Energy(low): 5.35 (5.35) meV/at | Forces(low): 3.99 (3.99) meV/A | Time/eval: 287.67 mcs/at\n",
+      "2021-02-26 12:54:07,866 - tensorpotential.fit - INFO - Iteration:  #64   (71 evals):       Loss: 0.000023 | RMSE Energy(low): 5.33 (5.33) meV/at | Forces(low): 4.00 (4.00) meV/A | Time/eval: 339.93 mcs/at\n",
+      "2021-02-26 12:54:07,992 - tensorpotential.fit - INFO - Iteration:  #65   (72 evals):       Loss: 0.000023 | RMSE Energy(low): 5.29 (5.29) meV/at | Forces(low): 4.02 (4.02) meV/A | Time/eval: 311.13 mcs/at\n",
+      "2021-02-26 12:54:08,115 - tensorpotential.fit - INFO - Iteration:  #66   (73 evals):       Loss: 0.000022 | RMSE Energy(low): 5.25 (5.25) meV/at | Forces(low): 4.02 (4.02) meV/A | Time/eval: 302.47 mcs/at\n",
+      "2021-02-26 12:54:08,241 - tensorpotential.fit - INFO - Iteration:  #67   (74 evals):       Loss: 0.000022 | RMSE Energy(low): 5.19 (5.19) meV/at | Forces(low): 3.99 (3.99) meV/A | Time/eval: 308.98 mcs/at\n",
+      "2021-02-26 12:54:08,371 - tensorpotential.fit - INFO - Iteration:  #68   (75 evals):       Loss: 0.000021 | RMSE Energy(low): 5.18 (5.18) meV/at | Forces(low): 3.88 (3.88) meV/A | Time/eval: 306.33 mcs/at\n",
+      "2021-02-26 12:54:08,490 - tensorpotential.fit - INFO - Iteration:  #69   (76 evals):       Loss: 0.000021 | RMSE Energy(low): 5.15 (5.15) meV/at | Forces(low): 3.77 (3.77) meV/A | Time/eval: 288.48 mcs/at\n",
+      "2021-02-26 12:54:08,625 - tensorpotential.fit - INFO - Iteration:  #70   (77 evals):       Loss: 0.000020 | RMSE Energy(low): 5.23 (5.23) meV/at | Forces(low): 3.48 (3.48) meV/A | Time/eval: 321.09 mcs/at\n",
+      "2021-02-26 12:54:08,739 - tensorpotential.fit - INFO - Iteration:  #71   (78 evals):       Loss: 0.000020 | RMSE Energy(low): 5.30 (5.30) meV/at | Forces(low): 3.33 (3.33) meV/A | Time/eval: 279.25 mcs/at\n",
+      "2021-02-26 12:54:08,895 - tensorpotential.fit - INFO - Iteration:  #72   (79 evals):       Loss: 0.000020 | RMSE Energy(low): 5.25 (5.25) meV/at | Forces(low): 3.33 (3.33) meV/A | Time/eval: 387.63 mcs/at\n",
+      "2021-02-26 12:54:09,100 - tensorpotential.fit - INFO - Iteration:  #73   (81 evals):       Loss: 0.000020 | RMSE Energy(low): 5.25 (5.25) meV/at | Forces(low): 3.31 (3.31) meV/A | Time/eval: 266.52 mcs/at\n",
+      "2021-02-26 12:54:09,268 - tensorpotential.fit - INFO - Iteration:  #74   (82 evals):       Loss: 0.000020 | RMSE Energy(low): 5.23 (5.23) meV/at | Forces(low): 3.29 (3.29) meV/A | Time/eval: 308.24 mcs/at\n",
+      "2021-02-26 12:54:09,385 - tensorpotential.fit - INFO - Iteration:  #75   (83 evals):       Loss: 0.000019 | RMSE Energy(low): 5.21 (5.21) meV/at | Forces(low): 3.28 (3.28) meV/A | Time/eval: 291.14 mcs/at\n",
+      "2021-02-26 12:54:09,489 - tensorpotential.fit - INFO - Iteration:  #76   (84 evals):       Loss: 0.000019 | RMSE Energy(low): 5.20 (5.20) meV/at | Forces(low): 3.25 (3.25) meV/A | Time/eval: 253.57 mcs/at\n",
+      "2021-02-26 12:54:09,624 - tensorpotential.fit - INFO - Iteration:  #77   (85 evals):       Loss: 0.000019 | RMSE Energy(low): 5.21 (5.21) meV/at | Forces(low): 3.20 (3.20) meV/A | Time/eval: 338.77 mcs/at\n",
+      "2021-02-26 12:54:09,735 - tensorpotential.fit - INFO - Iteration:  #78   (86 evals):       Loss: 0.000019 | RMSE Energy(low): 5.22 (5.22) meV/at | Forces(low): 3.14 (3.14) meV/A | Time/eval: 273.32 mcs/at\n",
+      "2021-02-26 12:54:09,867 - tensorpotential.fit - INFO - Iteration:  #79   (87 evals):       Loss: 0.000019 | RMSE Energy(low): 5.28 (5.28) meV/at | Forces(low): 3.00 (3.00) meV/A | Time/eval: 335.83 mcs/at\n",
+      "2021-02-26 12:54:09,998 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #80  Loss:    Total:  1.8771e-05 (100%) \n",
+      "                         Energy:  1.3793e-05 ( 73%) \n",
+      "                          Force:  4.4981e-06 ( 24%) \n",
+      "                             L1:  9.0636e-10 (  0%) \n",
+      "                             L2:  6.5442e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0498e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1436e-07 (  1%) \n",
+      "                      Smooth_w3:  2.5976e-07 (  1%) \n",
+      " Number of params.:    142           Avg. time:     303.87 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            5.25                 5.25                 3.00                    3.00\n",
+      "    MAE:            4.41                 4.41                 1.05                    1.05\n",
+      " MAX_AE:           22.20                22.20                28.72                   28.72\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:10,104 - tensorpotential.fit - INFO - Iteration:  #81   (89 evals):       Loss: 0.000019 | RMSE Energy(low): 5.23 (5.23) meV/at | Forces(low): 2.98 (2.98) meV/A | Time/eval: 258.46 mcs/at\n",
+      "2021-02-26 12:54:10,227 - tensorpotential.fit - INFO - Iteration:  #82   (90 evals):       Loss: 0.000018 | RMSE Energy(low): 5.22 (5.22) meV/at | Forces(low): 2.93 (2.93) meV/A | Time/eval: 303.29 mcs/at\n",
+      "2021-02-26 12:54:10,353 - tensorpotential.fit - INFO - Iteration:  #83   (91 evals):       Loss: 0.000018 | RMSE Energy(low): 5.20 (5.20) meV/at | Forces(low): 2.84 (2.84) meV/A | Time/eval: 311.32 mcs/at\n",
+      "2021-02-26 12:54:10,466 - tensorpotential.fit - INFO - Iteration:  #84   (92 evals):       Loss: 0.000018 | RMSE Energy(low): 5.09 (5.09) meV/at | Forces(low): 2.85 (2.85) meV/A | Time/eval: 279.70 mcs/at\n",
+      "2021-02-26 12:54:10,572 - tensorpotential.fit - INFO - Iteration:  #85   (93 evals):       Loss: 0.000017 | RMSE Energy(low): 4.91 (4.91) meV/at | Forces(low): 2.91 (2.91) meV/A | Time/eval: 268.49 mcs/at\n",
+      "2021-02-26 12:54:10,816 - tensorpotential.fit - INFO - Iteration:  #86   (95 evals):       Loss: 0.000016 | RMSE Energy(low): 4.83 (4.83) meV/at | Forces(low): 2.91 (2.91) meV/A | Time/eval: 296.78 mcs/at\n",
+      "2021-02-26 12:54:10,948 - tensorpotential.fit - INFO - Iteration:  #87   (96 evals):       Loss: 0.000016 | RMSE Energy(low): 4.72 (4.72) meV/at | Forces(low): 2.95 (2.95) meV/A | Time/eval: 339.19 mcs/at\n",
+      "2021-02-26 12:54:11,071 - tensorpotential.fit - INFO - Iteration:  #88   (97 evals):       Loss: 0.000015 | RMSE Energy(low): 4.58 (4.58) meV/at | Forces(low): 2.99 (2.99) meV/A | Time/eval: 305.24 mcs/at\n",
+      "2021-02-26 12:54:11,190 - tensorpotential.fit - INFO - Iteration:  #89   (98 evals):       Loss: 0.000015 | RMSE Energy(low): 4.41 (4.41) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 277.96 mcs/at\n",
+      "2021-02-26 12:54:11,343 - tensorpotential.fit - INFO - Iteration:  #90   (99 evals):       Loss: 0.000014 | RMSE Energy(low): 4.32 (4.32) meV/at | Forces(low): 2.96 (2.96) meV/A | Time/eval: 387.03 mcs/at\n",
+      "2021-02-26 12:54:11,562 - tensorpotential.fit - INFO - Iteration:  #91   (101 evals):      Loss: 0.000014 | RMSE Energy(low): 4.28 (4.28) meV/at | Forces(low): 2.90 (2.90) meV/A | Time/eval: 278.25 mcs/at\n",
+      "2021-02-26 12:54:11,686 - tensorpotential.fit - INFO - Iteration:  #92   (102 evals):      Loss: 0.000013 | RMSE Energy(low): 4.21 (4.21) meV/at | Forces(low): 2.85 (2.85) meV/A | Time/eval: 282.02 mcs/at\n",
+      "2021-02-26 12:54:11,811 - tensorpotential.fit - INFO - Iteration:  #93   (103 evals):      Loss: 0.000013 | RMSE Energy(low): 4.11 (4.11) meV/at | Forces(low): 2.81 (2.81) meV/A | Time/eval: 305.80 mcs/at\n",
+      "2021-02-26 12:54:11,936 - tensorpotential.fit - INFO - Iteration:  #94   (104 evals):      Loss: 0.000012 | RMSE Energy(low): 3.95 (3.95) meV/at | Forces(low): 2.86 (2.86) meV/A | Time/eval: 313.23 mcs/at\n",
+      "2021-02-26 12:54:12,065 - tensorpotential.fit - INFO - Iteration:  #95   (105 evals):      Loss: 0.000012 | RMSE Energy(low): 3.69 (3.69) meV/at | Forces(low): 2.93 (2.93) meV/A | Time/eval: 319.23 mcs/at\n",
+      "2021-02-26 12:54:12,217 - tensorpotential.fit - INFO - Iteration:  #96   (106 evals):      Loss: 0.000011 | RMSE Energy(low): 3.41 (3.41) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 374.15 mcs/at\n",
+      "2021-02-26 12:54:12,448 - tensorpotential.fit - INFO - Iteration:  #97   (108 evals):      Loss: 0.000011 | RMSE Energy(low): 3.37 (3.37) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 248.47 mcs/at\n",
+      "2021-02-26 12:54:12,561 - tensorpotential.fit - INFO - Iteration:  #98   (109 evals):      Loss: 0.000011 | RMSE Energy(low): 3.30 (3.30) meV/at | Forces(low): 3.03 (3.03) meV/A | Time/eval: 291.93 mcs/at\n",
+      "2021-02-26 12:54:12,822 - tensorpotential.fit - INFO - Iteration:  #99   (111 evals):      Loss: 0.000010 | RMSE Energy(low): 3.25 (3.25) meV/at | Forces(low): 3.05 (3.05) meV/A | Time/eval: 353.00 mcs/at\n",
+      "2021-02-26 12:54:12,935 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #100 Loss:    Total:  1.0377e-05 (100%) \n",
+      "                         Energy:  5.2723e-06 ( 51%) \n",
+      "                          Force:  4.6052e-06 ( 44%) \n",
+      "                             L1:  8.6127e-10 (  0%) \n",
+      "                             L2:  6.0104e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0808e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1518e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7575e-07 (  3%) \n",
+      " Number of params.:    142           Avg. time:     303.91 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.25                 3.25                 3.03                    3.03\n",
+      "    MAE:            2.77                 2.77                 1.55                    1.55\n",
+      " MAX_AE:            9.27                 9.27                23.76                   23.76\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:13,077 - tensorpotential.fit - INFO - Iteration:  #101  (113 evals):      Loss: 0.000010 | RMSE Energy(low): 3.25 (3.25) meV/at | Forces(low): 3.03 (3.03) meV/A | Time/eval: 341.87 mcs/at\n",
+      "2021-02-26 12:54:13,230 - tensorpotential.fit - INFO - Iteration:  #102  (114 evals):      Loss: 0.000010 | RMSE Energy(low): 3.25 (3.25) meV/at | Forces(low): 3.02 (3.02) meV/A | Time/eval: 377.39 mcs/at\n",
+      "2021-02-26 12:54:13,350 - tensorpotential.fit - INFO - Iteration:  #103  (115 evals):      Loss: 0.000010 | RMSE Energy(low): 3.22 (3.22) meV/at | Forces(low): 3.04 (3.04) meV/A | Time/eval: 297.68 mcs/at\n",
+      "2021-02-26 12:54:13,503 - tensorpotential.fit - INFO - Iteration:  #104  (116 evals):      Loss: 0.000010 | RMSE Energy(low): 3.18 (3.18) meV/at | Forces(low): 3.06 (3.06) meV/A | Time/eval: 384.92 mcs/at\n",
+      "2021-02-26 12:54:13,637 - tensorpotential.fit - INFO - Iteration:  #105  (117 evals):      Loss: 0.000010 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 3.13 (3.13) meV/A | Time/eval: 332.21 mcs/at\n",
+      "2021-02-26 12:54:13,771 - tensorpotential.fit - INFO - Iteration:  #106  (118 evals):      Loss: 0.000010 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 3.14 (3.14) meV/A | Time/eval: 335.98 mcs/at\n",
+      "2021-02-26 12:54:13,910 - tensorpotential.fit - INFO - Iteration:  #107  (119 evals):      Loss: 0.000010 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 3.16 (3.16) meV/A | Time/eval: 347.29 mcs/at\n",
+      "2021-02-26 12:54:14,037 - tensorpotential.fit - INFO - Iteration:  #108  (120 evals):      Loss: 0.000010 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 3.15 (3.15) meV/A | Time/eval: 286.71 mcs/at\n",
+      "2021-02-26 12:54:14,159 - tensorpotential.fit - INFO - Iteration:  #109  (121 evals):      Loss: 0.000010 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 3.14 (3.14) meV/A | Time/eval: 300.97 mcs/at\n",
+      "2021-02-26 12:54:14,294 - tensorpotential.fit - INFO - Iteration:  #110  (122 evals):      Loss: 0.000010 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 3.13 (3.13) meV/A | Time/eval: 335.16 mcs/at\n",
+      "2021-02-26 12:54:14,418 - tensorpotential.fit - INFO - Iteration:  #111  (123 evals):      Loss: 0.000010 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 3.10 (3.10) meV/A | Time/eval: 293.58 mcs/at\n",
+      "2021-02-26 12:54:14,537 - tensorpotential.fit - INFO - Iteration:  #112  (124 evals):      Loss: 0.000010 | RMSE Energy(low): 3.10 (3.10) meV/at | Forces(low): 3.07 (3.07) meV/A | Time/eval: 289.95 mcs/at\n",
+      "2021-02-26 12:54:14,665 - tensorpotential.fit - INFO - Iteration:  #113  (125 evals):      Loss: 0.000010 | RMSE Energy(low): 3.12 (3.12) meV/at | Forces(low): 3.03 (3.03) meV/A | Time/eval: 297.54 mcs/at\n",
+      "2021-02-26 12:54:14,814 - tensorpotential.fit - INFO - Iteration:  #114  (126 evals):      Loss: 0.000010 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.96 (2.96) meV/A | Time/eval: 374.17 mcs/at\n",
+      "2021-02-26 12:54:14,912 - tensorpotential.fit - INFO - Iteration:  #115  (127 evals):      Loss: 0.000010 | RMSE Energy(low): 3.17 (3.17) meV/at | Forces(low): 2.86 (2.86) meV/A | Time/eval: 237.00 mcs/at\n",
+      "2021-02-26 12:54:15,047 - tensorpotential.fit - INFO - Iteration:  #116  (128 evals):      Loss: 0.000009 | RMSE Energy(low): 3.20 (3.20) meV/at | Forces(low): 2.71 (2.71) meV/A | Time/eval: 299.96 mcs/at\n",
+      "2021-02-26 12:54:15,170 - tensorpotential.fit - INFO - Iteration:  #117  (129 evals):      Loss: 0.000009 | RMSE Energy(low): 3.18 (3.18) meV/at | Forces(low): 2.57 (2.57) meV/A | Time/eval: 302.28 mcs/at\n",
+      "2021-02-26 12:54:15,277 - tensorpotential.fit - INFO - Iteration:  #118  (130 evals):      Loss: 0.000009 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.59 (2.59) meV/A | Time/eval: 259.07 mcs/at\n",
+      "2021-02-26 12:54:15,432 - tensorpotential.fit - INFO - Iteration:  #119  (131 evals):      Loss: 0.000009 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.59 (2.59) meV/A | Time/eval: 356.38 mcs/at\n",
+      "2021-02-26 12:54:15,555 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #120 Loss:    Total:  8.5613e-06 (100%) \n",
+      "                         Energy:  4.8219e-06 ( 56%) \n",
+      "                          Force:  3.2445e-06 ( 38%) \n",
+      "                             L1:  8.0928e-10 (  0%) \n",
+      "                             L2:  5.3131e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0864e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1463e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7075e-07 (  3%) \n",
+      " Number of params.:    142           Avg. time:     306.21 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.11                 3.11                 2.55                    2.55\n",
+      "    MAE:            2.61                 2.61                 1.30                    1.30\n",
+      " MAX_AE:            8.93                 8.93                17.03                   17.03\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:15,664 - tensorpotential.fit - INFO - Iteration:  #121  (133 evals):      Loss: 0.000009 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.51 (2.51) meV/A | Time/eval: 262.97 mcs/at\n",
+      "2021-02-26 12:54:15,800 - tensorpotential.fit - INFO - Iteration:  #122  (134 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 338.53 mcs/at\n",
+      "2021-02-26 12:54:15,928 - tensorpotential.fit - INFO - Iteration:  #123  (135 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 304.39 mcs/at\n",
+      "2021-02-26 12:54:16,082 - tensorpotential.fit - INFO - Iteration:  #124  (136 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 386.54 mcs/at\n",
+      "2021-02-26 12:54:16,223 - tensorpotential.fit - INFO - Iteration:  #125  (137 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 353.68 mcs/at\n",
+      "2021-02-26 12:54:16,335 - tensorpotential.fit - INFO - Iteration:  #126  (138 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 255.92 mcs/at\n",
+      "2021-02-26 12:54:16,447 - tensorpotential.fit - INFO - Iteration:  #127  (139 evals):      Loss: 0.000009 | RMSE Energy(low): 3.16 (3.16) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 272.67 mcs/at\n",
+      "2021-02-26 12:54:16,569 - tensorpotential.fit - INFO - Iteration:  #128  (140 evals):      Loss: 0.000009 | RMSE Energy(low): 3.15 (3.15) meV/at | Forces(low): 2.48 (2.48) meV/A | Time/eval: 300.47 mcs/at\n",
+      "2021-02-26 12:54:16,687 - tensorpotential.fit - INFO - Iteration:  #129  (141 evals):      Loss: 0.000009 | RMSE Energy(low): 3.15 (3.15) meV/at | Forces(low): 2.48 (2.48) meV/A | Time/eval: 289.56 mcs/at\n",
+      "2021-02-26 12:54:16,810 - tensorpotential.fit - INFO - Iteration:  #130  (142 evals):      Loss: 0.000009 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.48 (2.48) meV/A | Time/eval: 314.82 mcs/at\n",
+      "2021-02-26 12:54:16,939 - tensorpotential.fit - INFO - Iteration:  #131  (143 evals):      Loss: 0.000008 | RMSE Energy(low): 3.14 (3.14) meV/at | Forces(low): 2.47 (2.47) meV/A | Time/eval: 308.93 mcs/at\n",
+      "2021-02-26 12:54:17,067 - tensorpotential.fit - INFO - Iteration:  #132  (144 evals):      Loss: 0.000008 | RMSE Energy(low): 3.13 (3.13) meV/at | Forces(low): 2.46 (2.46) meV/A | Time/eval: 319.54 mcs/at\n",
+      "2021-02-26 12:54:17,179 - tensorpotential.fit - INFO - Iteration:  #133  (145 evals):      Loss: 0.000008 | RMSE Energy(low): 3.11 (3.11) meV/at | Forces(low): 2.45 (2.45) meV/A | Time/eval: 274.33 mcs/at\n",
+      "2021-02-26 12:54:17,300 - tensorpotential.fit - INFO - Iteration:  #134  (146 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.45 (2.45) meV/A | Time/eval: 297.26 mcs/at\n",
+      "2021-02-26 12:54:17,506 - tensorpotential.fit - INFO - Iteration:  #135  (148 evals):      Loss: 0.000008 | RMSE Energy(low): 3.10 (3.10) meV/at | Forces(low): 2.40 (2.40) meV/A | Time/eval: 237.99 mcs/at\n",
+      "2021-02-26 12:54:17,626 - tensorpotential.fit - INFO - Iteration:  #136  (149 evals):      Loss: 0.000008 | RMSE Energy(low): 3.10 (3.10) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 283.21 mcs/at\n",
+      "2021-02-26 12:54:17,779 - tensorpotential.fit - INFO - Iteration:  #137  (150 evals):      Loss: 0.000008 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 379.58 mcs/at\n",
+      "2021-02-26 12:54:17,946 - tensorpotential.fit - INFO - Iteration:  #138  (151 evals):      Loss: 0.000008 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 420.16 mcs/at\n",
+      "2021-02-26 12:54:18,084 - tensorpotential.fit - INFO - Iteration:  #139  (152 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.34 (2.34) meV/A | Time/eval: 346.99 mcs/at\n",
+      "2021-02-26 12:54:18,223 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #140 Loss:    Total:  7.9446e-06 (100%) \n",
+      "                         Energy:  4.7099e-06 ( 59%) \n",
+      "                          Force:  2.7381e-06 ( 34%) \n",
+      "                             L1:  8.5915e-10 (  0%) \n",
+      "                             L2:  5.8319e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0881e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1418e-07 (  1%) \n",
+      "                      Smooth_w3:  2.7260e-07 (  3%) \n",
+      " Number of params.:    142           Avg. time:     307.45 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.07                 3.07                 2.34                    2.34\n",
+      "    MAE:            2.59                 2.59                 1.17                    1.17\n",
+      " MAX_AE:            8.85                 8.85                16.45                   16.45\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:18,348 - tensorpotential.fit - INFO - Iteration:  #141  (154 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.34 (2.34) meV/A | Time/eval: 304.74 mcs/at\n",
+      "2021-02-26 12:54:18,470 - tensorpotential.fit - INFO - Iteration:  #142  (155 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 297.56 mcs/at\n",
+      "2021-02-26 12:54:18,592 - tensorpotential.fit - INFO - Iteration:  #143  (156 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 299.32 mcs/at\n",
+      "2021-02-26 12:54:18,736 - tensorpotential.fit - INFO - Iteration:  #144  (157 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 354.64 mcs/at\n",
+      "2021-02-26 12:54:18,848 - tensorpotential.fit - INFO - Iteration:  #145  (158 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 271.60 mcs/at\n",
+      "2021-02-26 12:54:18,968 - tensorpotential.fit - INFO - Iteration:  #146  (159 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.35 (2.35) meV/A | Time/eval: 295.82 mcs/at\n",
+      "2021-02-26 12:54:19,089 - tensorpotential.fit - INFO - Iteration:  #147  (160 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.34 (2.34) meV/A | Time/eval: 298.01 mcs/at\n",
+      "2021-02-26 12:54:19,211 - tensorpotential.fit - INFO - Iteration:  #148  (161 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 294.83 mcs/at\n",
+      "2021-02-26 12:54:19,324 - tensorpotential.fit - INFO - Iteration:  #149  (162 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 275.86 mcs/at\n",
+      "2021-02-26 12:54:19,466 - tensorpotential.fit - INFO - Iteration:  #150  (163 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 347.71 mcs/at\n",
+      "2021-02-26 12:54:19,597 - tensorpotential.fit - INFO - Iteration:  #151  (164 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 323.14 mcs/at\n",
+      "2021-02-26 12:54:19,728 - tensorpotential.fit - INFO - Iteration:  #152  (165 evals):      Loss: 0.000008 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 2.30 (2.30) meV/A | Time/eval: 324.41 mcs/at\n",
+      "2021-02-26 12:54:19,843 - tensorpotential.fit - INFO - Iteration:  #153  (166 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 280.61 mcs/at\n",
+      "2021-02-26 12:54:19,976 - tensorpotential.fit - INFO - Iteration:  #154  (167 evals):      Loss: 0.000008 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 315.63 mcs/at\n",
+      "2021-02-26 12:54:20,081 - tensorpotential.fit - INFO - Iteration:  #155  (168 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 254.85 mcs/at\n",
+      "2021-02-26 12:54:20,207 - tensorpotential.fit - INFO - Iteration:  #156  (169 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.32 (2.32) meV/A | Time/eval: 310.60 mcs/at\n",
+      "2021-02-26 12:54:20,338 - tensorpotential.fit - INFO - Iteration:  #157  (170 evals):      Loss: 0.000008 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.33 (2.33) meV/A | Time/eval: 325.94 mcs/at\n",
+      "2021-02-26 12:54:20,478 - tensorpotential.fit - INFO - Iteration:  #158  (171 evals):      Loss: 0.000008 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.33 (2.33) meV/A | Time/eval: 333.05 mcs/at\n",
+      "2021-02-26 12:54:20,594 - tensorpotential.fit - INFO - Iteration:  #159  (172 evals):      Loss: 0.000008 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.33 (2.33) meV/A | Time/eval: 286.95 mcs/at\n",
+      "2021-02-26 12:54:20,713 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #160 Loss:    Total:  7.8169e-06 (100%) \n",
+      "                         Energy:  4.6026e-06 ( 59%) \n",
+      "                          Force:  2.7055e-06 ( 35%) \n",
+      "                             L1:  8.8584e-10 (  0%) \n",
+      "                             L2:  6.3068e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0846e-07 (  1%) \n",
+      "                      Smooth_w2:  1.1496e-07 (  1%) \n",
+      "                      Smooth_w3:  2.8444e-07 (  4%) \n",
+      " Number of params.:    142           Avg. time:     307.09 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.03                 3.03                 2.33                    2.33\n",
+      "    MAE:            2.56                 2.56                 1.13                    1.13\n",
+      " MAX_AE:            8.58                 8.58                16.08                   16.08\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:20,833 - tensorpotential.fit - INFO - Iteration:  #161  (174 evals):      Loss: 0.000008 | RMSE Energy(low): 3.03 (3.03) meV/at | Forces(low): 2.31 (2.31) meV/A | Time/eval: 293.21 mcs/at\n",
+      "2021-02-26 12:54:21,056 - tensorpotential.fit - INFO - Iteration:  #162  (176 evals):      Loss: 0.000008 | RMSE Energy(low): 3.03 (3.03) meV/at | Forces(low): 2.30 (2.30) meV/A | Time/eval: 321.49 mcs/at\n",
+      "2021-02-26 12:54:21,188 - tensorpotential.fit - INFO - Iteration:  #163  (177 evals):      Loss: 0.000008 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.27 (2.27) meV/A | Time/eval: 324.46 mcs/at\n",
+      "2021-02-26 12:54:21,314 - tensorpotential.fit - INFO - Iteration:  #164  (178 evals):      Loss: 0.000008 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.25 (2.25) meV/A | Time/eval: 311.64 mcs/at\n",
+      "2021-02-26 12:54:21,422 - tensorpotential.fit - INFO - Iteration:  #165  (179 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 261.39 mcs/at\n",
+      "2021-02-26 12:54:21,527 - tensorpotential.fit - INFO - Iteration:  #166  (180 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 252.78 mcs/at\n",
+      "2021-02-26 12:54:21,643 - tensorpotential.fit - INFO - Iteration:  #167  (181 evals):      Loss: 0.000008 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 284.08 mcs/at\n",
+      "2021-02-26 12:54:21,748 - tensorpotential.fit - INFO - Iteration:  #168  (182 evals):      Loss: 0.000008 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.16 (2.16) meV/A | Time/eval: 256.27 mcs/at\n",
+      "2021-02-26 12:54:21,880 - tensorpotential.fit - INFO - Iteration:  #169  (183 evals):      Loss: 0.000008 | RMSE Energy(low): 3.02 (3.02) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 325.10 mcs/at\n",
+      "2021-02-26 12:54:21,994 - tensorpotential.fit - INFO - Iteration:  #170  (184 evals):      Loss: 0.000007 | RMSE Energy(low): 3.02 (3.02) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 279.95 mcs/at\n",
+      "2021-02-26 12:54:22,114 - tensorpotential.fit - INFO - Iteration:  #171  (185 evals):      Loss: 0.000007 | RMSE Energy(low): 3.01 (3.01) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 295.68 mcs/at\n",
+      "2021-02-26 12:54:22,262 - tensorpotential.fit - INFO - Iteration:  #172  (186 evals):      Loss: 0.000007 | RMSE Energy(low): 2.99 (2.99) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 370.05 mcs/at\n",
+      "2021-02-26 12:54:22,527 - tensorpotential.fit - INFO - Iteration:  #173  (188 evals):      Loss: 0.000007 | RMSE Energy(low): 2.98 (2.98) meV/at | Forces(low): 2.20 (2.20) meV/A | Time/eval: 248.31 mcs/at\n",
+      "2021-02-26 12:54:22,674 - tensorpotential.fit - INFO - Iteration:  #174  (189 evals):      Loss: 0.000007 | RMSE Energy(low): 3.00 (3.00) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 331.88 mcs/at\n",
+      "2021-02-26 12:54:22,806 - tensorpotential.fit - INFO - Iteration:  #175  (190 evals):      Loss: 0.000007 | RMSE Energy(low): 3.04 (3.04) meV/at | Forces(low): 2.11 (2.11) meV/A | Time/eval: 330.08 mcs/at\n",
+      "2021-02-26 12:54:22,923 - tensorpotential.fit - INFO - Iteration:  #176  (191 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.08 (2.08) meV/A | Time/eval: 274.15 mcs/at\n",
+      "2021-02-26 12:54:23,046 - tensorpotential.fit - INFO - Iteration:  #177  (192 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.06 (2.06) meV/A | Time/eval: 311.51 mcs/at\n",
+      "2021-02-26 12:54:23,161 - tensorpotential.fit - INFO - Iteration:  #178  (193 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.05 (2.05) meV/A | Time/eval: 271.79 mcs/at\n",
+      "2021-02-26 12:54:23,252 - tensorpotential.fit - INFO - Iteration:  #179  (194 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.04 (2.04) meV/A | Time/eval: 209.77 mcs/at\n",
+      "2021-02-26 12:54:23,446 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #180 Loss:    Total:  7.3102e-06 (100%) \n",
+      "                         Energy:  4.7151e-06 ( 65%) \n",
+      "                          Force:  2.0239e-06 ( 28%) \n",
+      "                             L1:  8.9332e-10 (  0%) \n",
+      "                             L2:  6.3673e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0773e-07 (  1%) \n",
+      "                      Smooth_w2:  1.2152e-07 (  2%) \n",
+      "                      Smooth_w3:  3.4092e-07 (  5%) \n",
+      " Number of params.:    142           Avg. time:     305.26 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            3.07                 3.07                 2.01                    2.01\n",
+      "    MAE:            2.57                 2.57                 0.91                    0.91\n",
+      " MAX_AE:            7.86                 7.86                13.40                   13.40\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:23,553 - tensorpotential.fit - INFO - Iteration:  #181  (197 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.01 (2.01) meV/A | Time/eval: 272.59 mcs/at\n",
+      "2021-02-26 12:54:23,663 - tensorpotential.fit - INFO - Iteration:  #182  (198 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.99 (1.99) meV/A | Time/eval: 282.40 mcs/at\n",
+      "2021-02-26 12:54:23,779 - tensorpotential.fit - INFO - Iteration:  #183  (199 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.99 (1.99) meV/A | Time/eval: 294.27 mcs/at\n",
+      "2021-02-26 12:54:23,898 - tensorpotential.fit - INFO - Iteration:  #184  (200 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.00 (2.00) meV/A | Time/eval: 292.58 mcs/at\n",
+      "2021-02-26 12:54:24,116 - tensorpotential.fit - INFO - Iteration:  #185  (202 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 2.00 (2.00) meV/A | Time/eval: 274.03 mcs/at\n",
+      "2021-02-26 12:54:24,235 - tensorpotential.fit - INFO - Iteration:  #186  (203 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.02 (2.02) meV/A | Time/eval: 293.92 mcs/at\n",
+      "2021-02-26 12:54:24,357 - tensorpotential.fit - INFO - Iteration:  #187  (204 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.02 (2.02) meV/A | Time/eval: 304.92 mcs/at\n",
+      "2021-02-26 12:54:24,497 - tensorpotential.fit - INFO - Iteration:  #188  (205 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.02 (2.02) meV/A | Time/eval: 353.64 mcs/at\n",
+      "2021-02-26 12:54:24,617 - tensorpotential.fit - INFO - Iteration:  #189  (206 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 2.01 (2.01) meV/A | Time/eval: 296.46 mcs/at\n",
+      "2021-02-26 12:54:24,833 - tensorpotential.fit - INFO - Iteration:  #190  (208 evals):      Loss: 0.000007 | RMSE Energy(low): 3.06 (3.06) meV/at | Forces(low): 2.00 (2.00) meV/A | Time/eval: 271.83 mcs/at\n",
+      "2021-02-26 12:54:24,978 - tensorpotential.fit - INFO - Iteration:  #191  (209 evals):      Loss: 0.000007 | RMSE Energy(low): 3.07 (3.07) meV/at | Forces(low): 1.98 (1.98) meV/A | Time/eval: 360.49 mcs/at\n",
+      "2021-02-26 12:54:25,121 - tensorpotential.fit - INFO - Iteration:  #192  (210 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.96 (1.96) meV/A | Time/eval: 340.67 mcs/at\n",
+      "2021-02-26 12:54:25,258 - tensorpotential.fit - INFO - Iteration:  #193  (211 evals):      Loss: 0.000007 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 1.93 (1.93) meV/A | Time/eval: 337.40 mcs/at\n",
+      "2021-02-26 12:54:25,394 - tensorpotential.fit - INFO - Iteration:  #194  (212 evals):      Loss: 0.000007 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 1.92 (1.92) meV/A | Time/eval: 320.04 mcs/at\n",
+      "2021-02-26 12:54:25,624 - tensorpotential.fit - INFO - Iteration:  #195  (214 evals):      Loss: 0.000007 | RMSE Energy(low): 3.09 (3.09) meV/at | Forces(low): 1.92 (1.92) meV/A | Time/eval: 322.36 mcs/at\n",
+      "2021-02-26 12:54:25,773 - tensorpotential.fit - INFO - Iteration:  #196  (215 evals):      Loss: 0.000007 | RMSE Energy(low): 3.08 (3.08) meV/at | Forces(low): 1.92 (1.92) meV/A | Time/eval: 371.92 mcs/at\n",
+      "2021-02-26 12:54:25,932 - tensorpotential.fit - INFO - Iteration:  #197  (216 evals):      Loss: 0.000007 | RMSE Energy(low): 3.05 (3.05) meV/at | Forces(low): 1.95 (1.95) meV/A | Time/eval: 376.20 mcs/at\n",
+      "2021-02-26 12:54:26,055 - tensorpotential.fit - INFO - Iteration:  #198  (217 evals):      Loss: 0.000007 | RMSE Energy(low): 2.99 (2.99) meV/at | Forces(low): 2.01 (2.01) meV/A | Time/eval: 318.27 mcs/at\n",
+      "2021-02-26 12:54:26,198 - tensorpotential.fit - INFO - Iteration:  #199  (218 evals):      Loss: 0.000007 | RMSE Energy(low): 2.93 (2.93) meV/at | Forces(low): 2.09 (2.09) meV/A | Time/eval: 325.13 mcs/at\n",
+      "2021-02-26 12:54:26,486 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #200 Loss:    Total:  7.0140e-06 (100%) \n",
+      "                         Energy:  4.1902e-06 ( 60%) \n",
+      "                          Force:  2.2582e-06 ( 32%) \n",
+      "                             L1:  8.5879e-10 (  0%) \n",
+      "                             L2:  5.7199e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0756e-07 (  2%) \n",
+      "                      Smooth_w2:  1.2053e-07 (  2%) \n",
+      "                      Smooth_w3:  3.3656e-07 (  5%) \n",
+      " Number of params.:    142           Avg. time:     306.81 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            2.89                 2.89                 2.13                    2.13\n",
+      "    MAE:            2.48                 2.48                 0.95                    0.95\n",
+      " MAX_AE:            7.52                 7.52                14.51                   14.51\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:26,709 - tensorpotential.fit - INFO - Iteration:  #201  (221 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.13 (2.13) meV/A | Time/eval: 556.23 mcs/at\n",
+      "2021-02-26 12:54:26,866 - tensorpotential.fit - INFO - Iteration:  #202  (222 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.13 (2.13) meV/A | Time/eval: 372.02 mcs/at\n",
+      "2021-02-26 12:54:26,994 - tensorpotential.fit - INFO - Iteration:  #203  (223 evals):      Loss: 0.000007 | RMSE Energy(low): 2.89 (2.89) meV/at | Forces(low): 2.12 (2.12) meV/A | Time/eval: 308.17 mcs/at\n",
+      "2021-02-26 12:54:27,139 - tensorpotential.fit - INFO - Iteration:  #204  (224 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.11 (2.11) meV/A | Time/eval: 350.95 mcs/at\n",
+      "2021-02-26 12:54:27,292 - tensorpotential.fit - INFO - Iteration:  #205  (225 evals):      Loss: 0.000007 | RMSE Energy(low): 2.89 (2.89) meV/at | Forces(low): 2.08 (2.08) meV/A | Time/eval: 390.65 mcs/at\n",
+      "2021-02-26 12:54:27,427 - tensorpotential.fit - INFO - Iteration:  #206  (226 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.07 (2.07) meV/A | Time/eval: 309.15 mcs/at\n",
+      "2021-02-26 12:54:27,666 - tensorpotential.fit - INFO - Iteration:  #207  (228 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.05 (2.05) meV/A | Time/eval: 275.17 mcs/at\n",
+      "2021-02-26 12:54:27,885 - tensorpotential.fit - INFO - Iteration:  #208  (230 evals):      Loss: 0.000007 | RMSE Energy(low): 2.88 (2.88) meV/at | Forces(low): 2.04 (2.04) meV/A | Time/eval: 294.34 mcs/at\n",
+      "2021-02-26 12:54:28,018 - tensorpotential.fit - INFO - Iteration:  #209  (231 evals):      Loss: 0.000007 | RMSE Energy(low): 2.86 (2.86) meV/at | Forces(low): 2.06 (2.06) meV/A | Time/eval: 331.88 mcs/at\n",
+      "2021-02-26 12:54:28,137 - tensorpotential.fit - INFO - Iteration:  #210  (232 evals):      Loss: 0.000007 | RMSE Energy(low): 2.85 (2.85) meV/at | Forces(low): 2.07 (2.07) meV/A | Time/eval: 292.59 mcs/at\n",
+      "2021-02-26 12:54:28,265 - tensorpotential.fit - INFO - Iteration:  #211  (233 evals):      Loss: 0.000007 | RMSE Energy(low): 2.84 (2.84) meV/at | Forces(low): 2.08 (2.08) meV/A | Time/eval: 320.34 mcs/at\n",
+      "2021-02-26 12:54:28,424 - tensorpotential.fit - INFO - Iteration:  #212  (234 evals):      Loss: 0.000007 | RMSE Energy(low): 2.83 (2.83) meV/at | Forces(low): 2.07 (2.07) meV/A | Time/eval: 403.55 mcs/at\n",
+      "2021-02-26 12:54:28,534 - tensorpotential.fit - INFO - Iteration:  #213  (235 evals):      Loss: 0.000007 | RMSE Energy(low): 2.81 (2.81) meV/at | Forces(low): 2.10 (2.10) meV/A | Time/eval: 271.62 mcs/at\n",
+      "2021-02-26 12:54:28,659 - tensorpotential.fit - INFO - Iteration:  #214  (236 evals):      Loss: 0.000007 | RMSE Energy(low): 2.80 (2.80) meV/at | Forces(low): 2.10 (2.10) meV/A | Time/eval: 307.97 mcs/at\n",
+      "2021-02-26 12:54:28,890 - tensorpotential.fit - INFO - Iteration:  #215  (238 evals):      Loss: 0.000007 | RMSE Energy(low): 2.79 (2.79) meV/at | Forces(low): 2.09 (2.09) meV/A | Time/eval: 248.56 mcs/at\n",
+      "2021-02-26 12:54:29,046 - tensorpotential.fit - INFO - Iteration:  #216  (239 evals):      Loss: 0.000007 | RMSE Energy(low): 2.78 (2.78) meV/at | Forces(low): 2.10 (2.10) meV/A | Time/eval: 393.97 mcs/at\n",
+      "2021-02-26 12:54:29,175 - tensorpotential.fit - INFO - Iteration:  #217  (240 evals):      Loss: 0.000007 | RMSE Energy(low): 2.74 (2.74) meV/at | Forces(low): 2.14 (2.14) meV/A | Time/eval: 320.27 mcs/at\n",
+      "2021-02-26 12:54:29,306 - tensorpotential.fit - INFO - Iteration:  #218  (241 evals):      Loss: 0.000007 | RMSE Energy(low): 2.70 (2.70) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 325.57 mcs/at\n",
+      "2021-02-26 12:54:29,409 - tensorpotential.fit - INFO - Iteration:  #219  (242 evals):      Loss: 0.000007 | RMSE Energy(low): 2.69 (2.69) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 235.40 mcs/at\n",
+      "2021-02-26 12:54:29,504 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #220 Loss:    Total:  6.7293e-06 (100%) \n",
+      "                         Energy:  3.5969e-06 ( 53%) \n",
+      "                          Force:  2.4122e-06 ( 36%) \n",
+      "                             L1:  9.3694e-10 (  0%) \n",
+      "                             L2:  7.0250e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0690e-07 (  2%) \n",
+      "                      Smooth_w2:  1.4486e-07 (  2%) \n",
+      "                      Smooth_w3:  4.6753e-07 (  7%) \n",
+      " Number of params.:    142           Avg. time:     308.61 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            2.68                 2.68                 2.20                    2.20\n",
+      "    MAE:            2.29                 2.29                 0.93                    0.93\n",
+      " MAX_AE:            7.36                 7.36                15.79                   15.79\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:29,623 - tensorpotential.fit - INFO - Iteration:  #221  (244 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 304.14 mcs/at\n",
+      "2021-02-26 12:54:29,773 - tensorpotential.fit - INFO - Iteration:  #222  (245 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 361.30 mcs/at\n",
+      "2021-02-26 12:54:29,970 - tensorpotential.fit - INFO - Iteration:  #223  (246 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.23 (2.23) meV/A | Time/eval: 504.09 mcs/at\n",
+      "2021-02-26 12:54:30,155 - tensorpotential.fit - INFO - Iteration:  #224  (247 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 473.03 mcs/at\n",
+      "2021-02-26 12:54:30,306 - tensorpotential.fit - INFO - Iteration:  #225  (248 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.22 (2.22) meV/A | Time/eval: 358.01 mcs/at\n",
+      "2021-02-26 12:54:30,452 - tensorpotential.fit - INFO - Iteration:  #226  (249 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 354.89 mcs/at\n",
+      "2021-02-26 12:54:30,592 - tensorpotential.fit - INFO - Iteration:  #227  (250 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 345.68 mcs/at\n",
+      "2021-02-26 12:54:30,718 - tensorpotential.fit - INFO - Iteration:  #228  (251 evals):      Loss: 0.000007 | RMSE Energy(low): 2.68 (2.68) meV/at | Forces(low): 2.14 (2.14) meV/A | Time/eval: 316.90 mcs/at\n",
+      "2021-02-26 12:54:30,908 - tensorpotential.fit - INFO - Iteration:  #229  (252 evals):      Loss: 0.000007 | RMSE Energy(low): 2.67 (2.67) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 476.54 mcs/at\n",
+      "2021-02-26 12:54:31,061 - tensorpotential.fit - INFO - Iteration:  #230  (253 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 373.94 mcs/at\n",
+      "2021-02-26 12:54:31,203 - tensorpotential.fit - INFO - Iteration:  #231  (254 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 354.31 mcs/at\n",
+      "2021-02-26 12:54:31,316 - tensorpotential.fit - INFO - Iteration:  #232  (255 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 276.74 mcs/at\n",
+      "2021-02-26 12:54:31,459 - tensorpotential.fit - INFO - Iteration:  #233  (256 evals):      Loss: 0.000007 | RMSE Energy(low): 2.66 (2.66) meV/at | Forces(low): 2.15 (2.15) meV/A | Time/eval: 350.06 mcs/at\n",
+      "2021-02-26 12:54:31,596 - tensorpotential.fit - INFO - Iteration:  #234  (257 evals):      Loss: 0.000007 | RMSE Energy(low): 2.65 (2.65) meV/at | Forces(low): 2.16 (2.16) meV/A | Time/eval: 343.09 mcs/at\n",
+      "2021-02-26 12:54:31,718 - tensorpotential.fit - INFO - Iteration:  #235  (258 evals):      Loss: 0.000007 | RMSE Energy(low): 2.63 (2.63) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 303.71 mcs/at\n",
+      "2021-02-26 12:54:31,854 - tensorpotential.fit - INFO - Iteration:  #236  (259 evals):      Loss: 0.000007 | RMSE Energy(low): 2.62 (2.62) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 335.94 mcs/at\n",
+      "2021-02-26 12:54:31,990 - tensorpotential.fit - INFO - Iteration:  #237  (260 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 339.61 mcs/at\n",
+      "2021-02-26 12:54:32,091 - tensorpotential.fit - INFO - Iteration:  #238  (261 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 250.54 mcs/at\n",
+      "2021-02-26 12:54:32,193 - tensorpotential.fit - INFO - Iteration:  #239  (262 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 246.65 mcs/at\n",
+      "2021-02-26 12:54:32,305 - tensorpotential.fit - INFO - \n",
+      "--------------------------------------------FIT STATS--------------------------------------------\n",
+      "Iteration:  #240 Loss:    Total:  6.6306e-06 (100%) \n",
+      "                         Energy:  3.3547e-06 ( 51%) \n",
+      "                          Force:  2.4012e-06 ( 36%) \n",
+      "                             L1:  1.0825e-09 (  0%) \n",
+      "                             L2:  9.8235e-11 (  0%) \n",
+      "                      Smooth_w1:  1.0867e-07 (  2%) \n",
+      "                      Smooth_w2:  1.6939e-07 (  3%) \n",
+      "                      Smooth_w3:  5.9547e-07 (  9%) \n",
+      " Number of params.:    142           Avg. time:     311.80 mcs/at\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "           Energy/at, meV/at   Energy_low/at, meV/at      Force, meV/A        Force_low, meV/A   \n",
+      "   RMSE:            2.59                 2.59                 2.19                    2.19\n",
+      "    MAE:            2.14                 2.14                 0.91                    0.91\n",
+      " MAX_AE:            7.46                 7.46                16.23                   16.23\n",
+      "-------------------------------------------------------------------------------------------------\n",
+      "\n",
+      "2021-02-26 12:54:32,403 - tensorpotential.fit - INFO - Iteration:  #241  (264 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 237.12 mcs/at\n",
+      "2021-02-26 12:54:32,527 - tensorpotential.fit - INFO - Iteration:  #242  (265 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 320.62 mcs/at\n",
+      "2021-02-26 12:54:32,627 - tensorpotential.fit - INFO - Iteration:  #243  (266 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 241.83 mcs/at\n",
+      "2021-02-26 12:54:32,741 - tensorpotential.fit - INFO - Iteration:  #244  (267 evals):      Loss: 0.000007 | RMSE Energy(low): 2.60 (2.60) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 289.75 mcs/at\n",
+      "2021-02-26 12:54:32,901 - tensorpotential.fit - INFO - Iteration:  #245  (268 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.17 (2.17) meV/A | Time/eval: 403.35 mcs/at\n",
+      "2021-02-26 12:54:33,030 - tensorpotential.fit - INFO - Iteration:  #246  (269 evals):      Loss: 0.000007 | RMSE Energy(low): 2.59 (2.59) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 325.72 mcs/at\n",
+      "2021-02-26 12:54:33,175 - tensorpotential.fit - INFO - Iteration:  #247  (270 evals):      Loss: 0.000007 | RMSE Energy(low): 2.58 (2.58) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 358.56 mcs/at\n",
+      "2021-02-26 12:54:33,297 - tensorpotential.fit - INFO - Iteration:  #248  (271 evals):      Loss: 0.000007 | RMSE Energy(low): 2.57 (2.57) meV/at | Forces(low): 2.18 (2.18) meV/A | Time/eval: 305.48 mcs/at\n",
+      "2021-02-26 12:54:33,452 - tensorpotential.fit - INFO - Iteration:  #249  (272 evals):      Loss: 0.000007 | RMSE Energy(low): 2.57 (2.57) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 392.12 mcs/at\n",
+      "2021-02-26 12:54:33,586 - tensorpotential.fit - INFO - Iteration:  #250  (273 evals):      Loss: 0.000007 | RMSE Energy(low): 2.56 (2.56) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 334.34 mcs/at\n",
+      "2021-02-26 12:54:33,601 - pyace.generalfit - INFO - Fitting cycle finished, final statistic:\n",
+      "2021-02-26 12:54:33,602 - tensorpotential.fit - INFO - Last iteration:#251  (273 evals):      Loss: 0.000007 | RMSE Energy(low): 2.56 (2.56) meV/at | Forces(low): 2.19 (2.19) meV/A | Time/eval: 334.34 mcs/at\n",
+      "2021-02-26 12:54:33,602 - pyace.generalfit - DEBUG - Update current_bbasisconfig.metadata = MapStringString{_fit_cycles: 1, _loss: 6.62391848662654e-06, pyiron_job_id: 80, starttime: 2021-02-26 12:53:26.501740, user: yury}\n",
+      "2021-02-26 12:54:33,602 - pyace.generalfit - INFO - Select best fit #1 among all available (1)\n",
+      "2021-02-26 12:54:33,602 - pyace.generalfit - INFO - Best fitting attempt is #1\n",
+      "2021-02-26 12:54:33,607 - pyace.generalfit - INFO - Intermediate potential saved in interim_potential.yaml\n",
+      "2021-02-26 12:54:33,608 - pyace.generalfit - INFO - Fitting done\n",
+      "2021-02-26 12:54:33,608 - pyace.generalfit - DEBUG - Update metadata: MapStringString{_loss: 6.62391848662654e-06, intermediate_time: 2021-02-26 12:54:33.603019, pyiron_job_id: 80, starttime: 2021-02-26 12:53:26.501740, user: yury}\n",
+      "2021-02-26 12:54:33,614 - pyace.generalfit - INFO - Final potential is saved to output_potential.yaml\n",
+      "Warning: Maximum number of iterations has been exceeded.\n",
+      "         Current function value: 0.000007\n",
+      "         Iterations: 250\n",
+      "         Function evaluations: 273\n",
+      "         Gradient evaluations: 273\n",
+      "Fitting took  62.62 seconds\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:54:34,570 - pyiron_log - INFO - run job: df1_cut5 id: 80, status: collect\n",
+      "2021-02-26 12:54:34,570 - pyiron_log - INFO - run job: df1_cut5 id: 80, status: collect\n",
+      "2021-02-26 12:54:34,787 - pyiron_log - INFO - update master: None 80 non_modal\n",
+      "2021-02-26 12:54:34,787 - pyiron_log - INFO - update master: None 80 non_modal\n"
+     ]
+    }
+   ],
+   "source": [
+    "job.run(run_mode = \"non_modal\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 78,
+   "metadata": {},
+   "outputs": [
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+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.plot(job[\"output/log/loss\"])\n",
+    "plt.yscale('log')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 80,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.plot(job[\"output/log/rmse_energy\"])\n",
+    "plt.yscale('log')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 81,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.plot(job[\"output/log/rmse_forces\"])\n",
+    "plt.yscale('log')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 82,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "'/home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.yaml'"
+      ]
+     },
+     "execution_count": 82,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "job.get_final_potential_filename()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 83,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "'/home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace'"
+      ]
+     },
+     "execution_count": 83,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "job.get_final_potential_filename_ace()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Test fitted potential"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 84,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "test_pr = Project(\"test_ace_potential\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 85,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "cu_ace_potential = job.get_lammps_potential()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Optimization"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 86,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lammps_job = test_pr.create.job.Lammps(\"opt_lammps\", delete_existing_job=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 87,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lammps_job.executable.version=\"2020.12.24_pace\""
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 88,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lammps_job.potential = cu_ace_potential"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 89,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lammps_job.structure = test_pr.create.structure.ase_bulk(\"Cu\",\"fcc\",cubic=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 90,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "lammps_job.calc_minimize(pressure=0.0)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 91,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job opt_lammps was saved and received the ID: 81\n"
+     ]
+    }
+   ],
+   "source": [
+    "lammps_job.run()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Elastic matrix"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 111,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "elmat_job = test_pr.create.job.ElasticMatrixJob(\"elmat\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 112,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job = test_pr.create.job.Lammps(\"ref_job\", delete_existing_job=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 113,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.executable.version=\"2020.12.24_pace\""
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 114,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#ref_job.calc_static()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 115,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.potential = cu_ace_potential"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 116,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.structure = lammps_job.get_structure()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 117,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.server.run_mode=\"non_modal\""
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 118,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "elmat_job.ref_job = ref_job"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 124,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "<ipython-input-124-508560412f8a>:1: DeprecationWarning: pyiron_base.job.generic.run(run_again=True) is deprecated. It is not guaranteed to be in service in vers. 0.4.0\n",
+      "  elmat_job.run(run_mode=\"non_modal\", run_again=True)\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job elmat was saved and received the ID: 84\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:06,512 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:06,512 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:07,141 - pyiron_log - INFO - elmat: run job s_e_0\n",
+      "2021-02-26 12:57:07,141 - pyiron_log - INFO - elmat: run job s_e_0\n",
+      "2021-02-26 12:57:07,578 - pyiron_log - INFO - elmat: finished job s_e_0\n",
+      "2021-02-26 12:57:07,578 - pyiron_log - INFO - elmat: finished job s_e_0\n",
+      "2021-02-26 12:57:07,997 - pyiron_log - INFO - elmat: run job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:07,997 - pyiron_log - INFO - elmat: run job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:08,123 - pyiron_log - INFO - run job: s_e_0 id: None, status: initialized\n",
+      "2021-02-26 12:57:08,123 - pyiron_log - INFO - run job: s_e_0 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_e_0 was saved and received the ID: 85\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:08,511 - pyiron_log - INFO - run job: s_e_0 id: 85, status: created\n",
+      "2021-02-26 12:57:08,511 - pyiron_log - INFO - run job: s_e_0 id: 85, status: created\n",
+      "2021-02-26 12:57:08,972 - pyiron_log - INFO - job: s_e_0 id: 85, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:08,972 - pyiron_log - INFO - job: s_e_0 id: 85, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:08,972 - pyiron_log - INFO - job: s_e_0 id: 85, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:09,380 - pyiron_log - INFO - job: s_e_0 id: 85, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316532 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7939554617785    -14.7939554617785      386.32333059905 4.58410527267229e-12 1.04447968238103e-12     386.323344623929 -1.62474617259271e-12     386.323344623897     47.8975304294144 \n",
+      "       1                    0    -14.7939554617785    -14.7939554617785     386.323330599301 -1.8974714229922e-11 1.62474617259271e-12      386.32334462428 -1.84524743887315e-11     386.323344624271     47.8975304294144 \n",
+      "Loop time of 0.000703096 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7939554617785  -14.7939554617785  -14.7939554617785\n",
+      "  Force two-norm initial, final = 7.8449579e-10 3.3871894e-15\n",
+      "  Force max component initial, final = 2.7736774e-10 1.8041124e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.8041124e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060606 | 0.00060606 | 0.00060606 |   0.0 | 86.20\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.2875e-05 | 1.2875e-05 | 1.2875e-05 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 8.416e-05  |            |       | 11.97\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:09,380 - pyiron_log - INFO - job: s_e_0 id: 85, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316532 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7939554617785    -14.7939554617785      386.32333059905 4.58410527267229e-12 1.04447968238103e-12     386.323344623929 -1.62474617259271e-12     386.323344623897     47.8975304294144 \n",
+      "       1                    0    -14.7939554617785    -14.7939554617785     386.323330599301 -1.8974714229922e-11 1.62474617259271e-12      386.32334462428 -1.84524743887315e-11     386.323344624271     47.8975304294144 \n",
+      "Loop time of 0.000703096 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7939554617785  -14.7939554617785  -14.7939554617785\n",
+      "  Force two-norm initial, final = 7.8449579e-10 3.3871894e-15\n",
+      "  Force max component initial, final = 2.7736774e-10 1.8041124e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.8041124e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060606 | 0.00060606 | 0.00060606 |   0.0 | 86.20\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.2875e-05 | 1.2875e-05 | 1.2875e-05 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 8.416e-05  |            |       | 11.97\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:09,380 - pyiron_log - INFO - job: s_e_0 id: 85, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316532 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7939554617785    -14.7939554617785      386.32333059905 4.58410527267229e-12 1.04447968238103e-12     386.323344623929 -1.62474617259271e-12     386.323344623897     47.8975304294144 \n",
+      "       1                    0    -14.7939554617785    -14.7939554617785     386.323330599301 -1.8974714229922e-11 1.62474617259271e-12      386.32334462428 -1.84524743887315e-11     386.323344624271     47.8975304294144 \n",
+      "Loop time of 0.000703096 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7939554617785  -14.7939554617785  -14.7939554617785\n",
+      "  Force two-norm initial, final = 7.8449579e-10 3.3871894e-15\n",
+      "  Force max component initial, final = 2.7736774e-10 1.8041124e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.8041124e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060606 | 0.00060606 | 0.00060606 |   0.0 | 86.20\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.2875e-05 | 1.2875e-05 | 1.2875e-05 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 8.416e-05  |            |       | 11.97\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:09,392 - pyiron_log - INFO - run job: s_e_0 id: 85, status: collect\n",
+      "2021-02-26 12:57:09,392 - pyiron_log - INFO - run job: s_e_0 id: 85, status: collect\n",
+      "2021-02-26 12:57:09,392 - pyiron_log - INFO - run job: s_e_0 id: 85, status: collect\n",
+      "2021-02-26 12:57:09,886 - pyiron_log - INFO - update master: 84 85 non_modal\n",
+      "2021-02-26 12:57:09,886 - pyiron_log - INFO - update master: 84 85 non_modal\n",
+      "2021-02-26 12:57:09,886 - pyiron_log - INFO - update master: 84 85 non_modal\n",
+      "2021-02-26 12:57:09,989 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:09,989 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:09,989 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:10,626 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:10,626 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:10,626 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:10,632 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:10,632 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:10,632 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:12,053 - pyiron_log - INFO - elmat: run job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:12,053 - pyiron_log - INFO - elmat: run job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:12,053 - pyiron_log - INFO - elmat: run job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:12,212 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:12,212 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:12,212 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00500\n",
+      "2021-02-26 12:57:12,814 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:12,814 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:12,814 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:12,956 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:12,956 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:12,956 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_01_e_m0_00500 was saved and received the ID: 86\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:13,248 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: created\n",
+      "2021-02-26 12:57:13,248 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: created\n",
+      "2021-02-26 12:57:13,248 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: created\n",
+      "2021-02-26 12:57:13,952 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:13,952 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:13,952 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:13,952 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:14,313 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6134493)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7888771196272    -14.7888771196272     22641.8450504737 -8.83620856924492e-13 -1.06034502830939e-12     22641.8450532738 -4.35919622749416e-12     22641.8450532738     47.1808666368859 \n",
+      "       1                    0    -14.7888771196272    -14.7888771196272     22641.8450504733 2.12069005661878e-12 7.54023131242233e-12     22641.8450532738 2.94540285641497e-12     22641.8450532737     47.1808666368859 \n",
+      "Loop time of 0.000421047 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "66.7% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7888771196272  -14.7888771196272  -14.7888771196272\n",
+      "  Force two-norm initial, final = 1.5478118e-10 1.9661836e-15\n",
+      "  Force max component initial, final = 5.4725357e-11 1.5612511e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5612511e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00035191 | 0.00035191 | 0.00035191 |   0.0 | 83.58\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 8.8215e-06 | 8.8215e-06 | 8.8215e-06 |   0.0 |  2.10\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.032e-05  |            |       | 14.33\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:14,313 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6134493)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7888771196272    -14.7888771196272     22641.8450504737 -8.83620856924492e-13 -1.06034502830939e-12     22641.8450532738 -4.35919622749416e-12     22641.8450532738     47.1808666368859 \n",
+      "       1                    0    -14.7888771196272    -14.7888771196272     22641.8450504733 2.12069005661878e-12 7.54023131242233e-12     22641.8450532738 2.94540285641497e-12     22641.8450532737     47.1808666368859 \n",
+      "Loop time of 0.000421047 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "66.7% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7888771196272  -14.7888771196272  -14.7888771196272\n",
+      "  Force two-norm initial, final = 1.5478118e-10 1.9661836e-15\n",
+      "  Force max component initial, final = 5.4725357e-11 1.5612511e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5612511e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00035191 | 0.00035191 | 0.00035191 |   0.0 | 83.58\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 8.8215e-06 | 8.8215e-06 | 8.8215e-06 |   0.0 |  2.10\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.032e-05  |            |       | 14.33\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:14,313 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6134493)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7888771196272    -14.7888771196272     22641.8450504737 -8.83620856924492e-13 -1.06034502830939e-12     22641.8450532738 -4.35919622749416e-12     22641.8450532738     47.1808666368859 \n",
+      "       1                    0    -14.7888771196272    -14.7888771196272     22641.8450504733 2.12069005661878e-12 7.54023131242233e-12     22641.8450532738 2.94540285641497e-12     22641.8450532737     47.1808666368859 \n",
+      "Loop time of 0.000421047 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "66.7% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7888771196272  -14.7888771196272  -14.7888771196272\n",
+      "  Force two-norm initial, final = 1.5478118e-10 1.9661836e-15\n",
+      "  Force max component initial, final = 5.4725357e-11 1.5612511e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5612511e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00035191 | 0.00035191 | 0.00035191 |   0.0 | 83.58\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 8.8215e-06 | 8.8215e-06 | 8.8215e-06 |   0.0 |  2.10\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.032e-05  |            |       | 14.33\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:14,313 - pyiron_log - INFO - job: s_01_e_m0_00500 id: 86, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6134493)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7888771196272    -14.7888771196272     22641.8450504737 -8.83620856924492e-13 -1.06034502830939e-12     22641.8450532738 -4.35919622749416e-12     22641.8450532738     47.1808666368859 \n",
+      "       1                    0    -14.7888771196272    -14.7888771196272     22641.8450504733 2.12069005661878e-12 7.54023131242233e-12     22641.8450532738 2.94540285641497e-12     22641.8450532737     47.1808666368859 \n",
+      "Loop time of 0.000421047 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "66.7% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7888771196272  -14.7888771196272  -14.7888771196272\n",
+      "  Force two-norm initial, final = 1.5478118e-10 1.9661836e-15\n",
+      "  Force max component initial, final = 5.4725357e-11 1.5612511e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5612511e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00035191 | 0.00035191 | 0.00035191 |   0.0 | 83.58\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 8.8215e-06 | 8.8215e-06 | 8.8215e-06 |   0.0 |  2.10\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.032e-05  |            |       | 14.33\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:14,322 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: collect\n",
+      "2021-02-26 12:57:14,322 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: collect\n",
+      "2021-02-26 12:57:14,322 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: collect\n",
+      "2021-02-26 12:57:14,322 - pyiron_log - INFO - run job: s_01_e_m0_00500 id: 86, status: collect\n",
+      "2021-02-26 12:57:14,942 - pyiron_log - INFO - update master: 84 86 non_modal\n",
+      "2021-02-26 12:57:14,942 - pyiron_log - INFO - update master: 84 86 non_modal\n",
+      "2021-02-26 12:57:14,942 - pyiron_log - INFO - update master: 84 86 non_modal\n",
+      "2021-02-26 12:57:14,942 - pyiron_log - INFO - update master: 84 86 non_modal\n",
+      "2021-02-26 12:57:15,034 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:15,034 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:15,034 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:15,034 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:15,853 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:15,853 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:15,853 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:15,853 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:15,864 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:15,864 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:15,864 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:15,864 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:17,165 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,165 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,165 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,165 - pyiron_log - INFO - elmat: run job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,424 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,424 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,424 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,424 - pyiron_log - INFO - elmat: finished job s_01_e_m0_00250\n",
+      "2021-02-26 12:57:17,801 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:17,801 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:17,801 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:17,801 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:17,902 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:17,902 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:17,902 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:17,902 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_01_e_m0_00250 was saved and received the ID: 87\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:18,193 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: created\n",
+      "2021-02-26 12:57:18,193 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: created\n",
+      "2021-02-26 12:57:18,193 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: created\n",
+      "2021-02-26 12:57:18,193 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: created\n",
+      "2021-02-26 12:57:18,648 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:18,648 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:18,648 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:18,648 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:18,648 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:19,003 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6225627)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0     -14.792657266307     -14.792657266307     11286.6895754041 -6.37263974778342e-12 1.75393754526149e-12     11286.6895763541 -9.00354606567566e-12      11286.689576354     47.5387483673597 \n",
+      "       1                    0     -14.792657266307     -14.792657266307     11286.6895754045 3.50787509052299e-12 -3.85866259957528e-12     11286.6895763543 -7.01575018104597e-13     11286.6895763543     47.5387483673597 \n",
+      "Loop time of 0.00102115 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "      -14.792657266307   -14.792657266307   -14.792657266307\n",
+      "  Force two-norm initial, final = 5.2789315e-11 1.6616054e-15\n",
+      "  Force max component initial, final = 1.8664015e-11 7.1297135e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 7.1297135e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00088525 | 0.00088525 | 0.00088525 |   0.0 | 86.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.8597e-05 | 1.8597e-05 | 1.8597e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001173  |            |       | 11.49\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:19,003 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6225627)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0     -14.792657266307     -14.792657266307     11286.6895754041 -6.37263974778342e-12 1.75393754526149e-12     11286.6895763541 -9.00354606567566e-12      11286.689576354     47.5387483673597 \n",
+      "       1                    0     -14.792657266307     -14.792657266307     11286.6895754045 3.50787509052299e-12 -3.85866259957528e-12     11286.6895763543 -7.01575018104597e-13     11286.6895763543     47.5387483673597 \n",
+      "Loop time of 0.00102115 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "      -14.792657266307   -14.792657266307   -14.792657266307\n",
+      "  Force two-norm initial, final = 5.2789315e-11 1.6616054e-15\n",
+      "  Force max component initial, final = 1.8664015e-11 7.1297135e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 7.1297135e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00088525 | 0.00088525 | 0.00088525 |   0.0 | 86.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.8597e-05 | 1.8597e-05 | 1.8597e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001173  |            |       | 11.49\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:19,003 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6225627)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0     -14.792657266307     -14.792657266307     11286.6895754041 -6.37263974778342e-12 1.75393754526149e-12     11286.6895763541 -9.00354606567566e-12      11286.689576354     47.5387483673597 \n",
+      "       1                    0     -14.792657266307     -14.792657266307     11286.6895754045 3.50787509052299e-12 -3.85866259957528e-12     11286.6895763543 -7.01575018104597e-13     11286.6895763543     47.5387483673597 \n",
+      "Loop time of 0.00102115 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "      -14.792657266307   -14.792657266307   -14.792657266307\n",
+      "  Force two-norm initial, final = 5.2789315e-11 1.6616054e-15\n",
+      "  Force max component initial, final = 1.8664015e-11 7.1297135e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 7.1297135e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00088525 | 0.00088525 | 0.00088525 |   0.0 | 86.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.8597e-05 | 1.8597e-05 | 1.8597e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001173  |            |       | 11.49\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:19,003 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6225627)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0     -14.792657266307     -14.792657266307     11286.6895754041 -6.37263974778342e-12 1.75393754526149e-12     11286.6895763541 -9.00354606567566e-12      11286.689576354     47.5387483673597 \n",
+      "       1                    0     -14.792657266307     -14.792657266307     11286.6895754045 3.50787509052299e-12 -3.85866259957528e-12     11286.6895763543 -7.01575018104597e-13     11286.6895763543     47.5387483673597 \n",
+      "Loop time of 0.00102115 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "      -14.792657266307   -14.792657266307   -14.792657266307\n",
+      "  Force two-norm initial, final = 5.2789315e-11 1.6616054e-15\n",
+      "  Force max component initial, final = 1.8664015e-11 7.1297135e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 7.1297135e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00088525 | 0.00088525 | 0.00088525 |   0.0 | 86.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.8597e-05 | 1.8597e-05 | 1.8597e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001173  |            |       | 11.49\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:19,003 - pyiron_log - INFO - job: s_01_e_m0_00250 id: 87, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6225627)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0     -14.792657266307     -14.792657266307     11286.6895754041 -6.37263974778342e-12 1.75393754526149e-12     11286.6895763541 -9.00354606567566e-12      11286.689576354     47.5387483673597 \n",
+      "       1                    0     -14.792657266307     -14.792657266307     11286.6895754045 3.50787509052299e-12 -3.85866259957528e-12     11286.6895763543 -7.01575018104597e-13     11286.6895763543     47.5387483673597 \n",
+      "Loop time of 0.00102115 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "      -14.792657266307   -14.792657266307   -14.792657266307\n",
+      "  Force two-norm initial, final = 5.2789315e-11 1.6616054e-15\n",
+      "  Force max component initial, final = 1.8664015e-11 7.1297135e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 7.1297135e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00088525 | 0.00088525 | 0.00088525 |   0.0 | 86.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.8597e-05 | 1.8597e-05 | 1.8597e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001173  |            |       | 11.49\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:19,020 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: collect\n",
+      "2021-02-26 12:57:19,020 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: collect\n",
+      "2021-02-26 12:57:19,020 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: collect\n",
+      "2021-02-26 12:57:19,020 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: collect\n",
+      "2021-02-26 12:57:19,020 - pyiron_log - INFO - run job: s_01_e_m0_00250 id: 87, status: collect\n",
+      "2021-02-26 12:57:19,459 - pyiron_log - INFO - update master: 84 87 non_modal\n",
+      "2021-02-26 12:57:19,459 - pyiron_log - INFO - update master: 84 87 non_modal\n",
+      "2021-02-26 12:57:19,459 - pyiron_log - INFO - update master: 84 87 non_modal\n",
+      "2021-02-26 12:57:19,459 - pyiron_log - INFO - update master: 84 87 non_modal\n",
+      "2021-02-26 12:57:19,459 - pyiron_log - INFO - update master: 84 87 non_modal\n",
+      "2021-02-26 12:57:19,567 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:19,567 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:19,567 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:19,567 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:19,567 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:20,168 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:20,168 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:20,168 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:20,168 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:20,168 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:20,179 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:20,179 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:20,179 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:20,179 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:20,179 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:21,679 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,679 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,679 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,679 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,679 - pyiron_log - INFO - elmat: run job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,790 - pyiron_log - INFO - elmat: finished job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,790 - pyiron_log - INFO - elmat: finished job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,790 - pyiron_log - INFO - elmat: finished job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,790 - pyiron_log - INFO - elmat: finished job s_01_e_0_00250\n",
+      "2021-02-26 12:57:21,790 - pyiron_log - INFO - elmat: finished job s_01_e_0_00250\n",
+      "2021-02-26 12:57:22,167 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:22,167 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:22,167 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:22,167 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:22,167 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:22,397 - pyiron_log - INFO - run job: s_01_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:22,397 - pyiron_log - INFO - run job: s_01_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:22,397 - pyiron_log - INFO - run job: s_01_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:22,397 - pyiron_log - INFO - run job: s_01_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:22,397 - pyiron_log - INFO - run job: s_01_e_0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_01_e_0_00250 was saved and received the ID: 88\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:22,714 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: created\n",
+      "2021-02-26 12:57:22,714 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: created\n",
+      "2021-02-26 12:57:22,714 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: created\n",
+      "2021-02-26 12:57:22,714 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: created\n",
+      "2021-02-26 12:57:22,714 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: created\n",
+      "2021-02-26 12:57:23,206 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:23,206 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:23,206 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:23,206 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:23,206 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:23,206 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:23,514 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6407211)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7928589389862    -14.7928589389862    -10080.1437697694 -1.49744798771382e-12 -4.0315907361526e-12    -10080.1437626257 -5.52903872386643e-12    -10080.1437626257     48.2572105744665 \n",
+      "       1                    0    -14.7928589389862    -14.7928589389862    -10080.1437697699 -3.28286674229569e-12 -1.38225968096661e-12    -10080.1437626259 -1.83149407728075e-11     -10080.143762626     48.2572105744665 \n",
+      "Loop time of 0.000390053 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "33.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7928589389862  -14.7928589389862  -14.7928589389862\n",
+      "  Force two-norm initial, final = 4.0245273e-10 2.0189856e-15\n",
+      "  Force max component initial, final = 1.4228859e-10 8.7256591e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 8.7256591e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00032902 | 0.00032902 | 0.00032902 |   0.0 | 84.35\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.388e-05  |            |       | 13.81\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:23,514 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6407211)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7928589389862    -14.7928589389862    -10080.1437697694 -1.49744798771382e-12 -4.0315907361526e-12    -10080.1437626257 -5.52903872386643e-12    -10080.1437626257     48.2572105744665 \n",
+      "       1                    0    -14.7928589389862    -14.7928589389862    -10080.1437697699 -3.28286674229569e-12 -1.38225968096661e-12    -10080.1437626259 -1.83149407728075e-11     -10080.143762626     48.2572105744665 \n",
+      "Loop time of 0.000390053 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "33.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7928589389862  -14.7928589389862  -14.7928589389862\n",
+      "  Force two-norm initial, final = 4.0245273e-10 2.0189856e-15\n",
+      "  Force max component initial, final = 1.4228859e-10 8.7256591e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 8.7256591e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00032902 | 0.00032902 | 0.00032902 |   0.0 | 84.35\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.388e-05  |            |       | 13.81\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:23,514 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6407211)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7928589389862    -14.7928589389862    -10080.1437697694 -1.49744798771382e-12 -4.0315907361526e-12    -10080.1437626257 -5.52903872386643e-12    -10080.1437626257     48.2572105744665 \n",
+      "       1                    0    -14.7928589389862    -14.7928589389862    -10080.1437697699 -3.28286674229569e-12 -1.38225968096661e-12    -10080.1437626259 -1.83149407728075e-11     -10080.143762626     48.2572105744665 \n",
+      "Loop time of 0.000390053 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "33.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7928589389862  -14.7928589389862  -14.7928589389862\n",
+      "  Force two-norm initial, final = 4.0245273e-10 2.0189856e-15\n",
+      "  Force max component initial, final = 1.4228859e-10 8.7256591e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 8.7256591e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00032902 | 0.00032902 | 0.00032902 |   0.0 | 84.35\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.388e-05  |            |       | 13.81\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:23,514 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6407211)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7928589389862    -14.7928589389862    -10080.1437697694 -1.49744798771382e-12 -4.0315907361526e-12    -10080.1437626257 -5.52903872386643e-12    -10080.1437626257     48.2572105744665 \n",
+      "       1                    0    -14.7928589389862    -14.7928589389862    -10080.1437697699 -3.28286674229569e-12 -1.38225968096661e-12    -10080.1437626259 -1.83149407728075e-11     -10080.143762626     48.2572105744665 \n",
+      "Loop time of 0.000390053 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "33.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7928589389862  -14.7928589389862  -14.7928589389862\n",
+      "  Force two-norm initial, final = 4.0245273e-10 2.0189856e-15\n",
+      "  Force max component initial, final = 1.4228859e-10 8.7256591e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 8.7256591e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00032902 | 0.00032902 | 0.00032902 |   0.0 | 84.35\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.388e-05  |            |       | 13.81\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:23,514 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6407211)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7928589389862    -14.7928589389862    -10080.1437697694 -1.49744798771382e-12 -4.0315907361526e-12    -10080.1437626257 -5.52903872386643e-12    -10080.1437626257     48.2572105744665 \n",
+      "       1                    0    -14.7928589389862    -14.7928589389862    -10080.1437697699 -3.28286674229569e-12 -1.38225968096661e-12    -10080.1437626259 -1.83149407728075e-11     -10080.143762626     48.2572105744665 \n",
+      "Loop time of 0.000390053 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "33.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7928589389862  -14.7928589389862  -14.7928589389862\n",
+      "  Force two-norm initial, final = 4.0245273e-10 2.0189856e-15\n",
+      "  Force max component initial, final = 1.4228859e-10 8.7256591e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 8.7256591e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00032902 | 0.00032902 | 0.00032902 |   0.0 | 84.35\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.388e-05  |            |       | 13.81\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:23,514 - pyiron_log - INFO - job: s_01_e_0_00250 id: 88, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6407211)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7928589389862    -14.7928589389862    -10080.1437697694 -1.49744798771382e-12 -4.0315907361526e-12    -10080.1437626257 -5.52903872386643e-12    -10080.1437626257     48.2572105744665 \n",
+      "       1                    0    -14.7928589389862    -14.7928589389862    -10080.1437697699 -3.28286674229569e-12 -1.38225968096661e-12    -10080.1437626259 -1.83149407728075e-11     -10080.143762626     48.2572105744665 \n",
+      "Loop time of 0.000390053 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "33.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7928589389862  -14.7928589389862  -14.7928589389862\n",
+      "  Force two-norm initial, final = 4.0245273e-10 2.0189856e-15\n",
+      "  Force max component initial, final = 1.4228859e-10 8.7256591e-16\n",
+      "  Final line search alpha, max atom move = 1.0000000 8.7256591e-16\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00032902 | 0.00032902 | 0.00032902 |   0.0 | 84.35\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 |   0.0 |  1.83\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.388e-05  |            |       | 13.81\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:23,537 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: collect\n",
+      "2021-02-26 12:57:23,537 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: collect\n",
+      "2021-02-26 12:57:23,537 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: collect\n",
+      "2021-02-26 12:57:23,537 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: collect\n",
+      "2021-02-26 12:57:23,537 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: collect\n",
+      "2021-02-26 12:57:23,537 - pyiron_log - INFO - run job: s_01_e_0_00250 id: 88, status: collect\n",
+      "2021-02-26 12:57:24,109 - pyiron_log - INFO - update master: 84 88 non_modal\n",
+      "2021-02-26 12:57:24,109 - pyiron_log - INFO - update master: 84 88 non_modal\n",
+      "2021-02-26 12:57:24,109 - pyiron_log - INFO - update master: 84 88 non_modal\n",
+      "2021-02-26 12:57:24,109 - pyiron_log - INFO - update master: 84 88 non_modal\n",
+      "2021-02-26 12:57:24,109 - pyiron_log - INFO - update master: 84 88 non_modal\n",
+      "2021-02-26 12:57:24,109 - pyiron_log - INFO - update master: 84 88 non_modal\n",
+      "2021-02-26 12:57:24,201 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:24,201 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:24,201 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:24,201 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:24,201 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:24,201 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:24,813 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:24,813 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:24,813 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:24,813 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:24,813 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:24,813 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:24,826 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:24,826 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:24,826 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:24,826 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:24,826 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:24,826 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:27,202 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,202 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,202 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,202 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,202 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,202 - pyiron_log - INFO - elmat: run job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,323 - pyiron_log - INFO - elmat: finished job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,323 - pyiron_log - INFO - elmat: finished job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,323 - pyiron_log - INFO - elmat: finished job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,323 - pyiron_log - INFO - elmat: finished job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,323 - pyiron_log - INFO - elmat: finished job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,323 - pyiron_log - INFO - elmat: finished job s_01_e_0_00500\n",
+      "2021-02-26 12:57:27,826 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:27,826 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:27,826 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:27,826 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:27,826 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:27,826 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:27,937 - pyiron_log - INFO - run job: s_01_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:27,937 - pyiron_log - INFO - run job: s_01_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:27,937 - pyiron_log - INFO - run job: s_01_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:27,937 - pyiron_log - INFO - run job: s_01_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:27,937 - pyiron_log - INFO - run job: s_01_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:27,937 - pyiron_log - INFO - run job: s_01_e_0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_01_e_0_00500 was saved and received the ID: 89\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:28,326 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: created\n",
+      "2021-02-26 12:57:28,326 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: created\n",
+      "2021-02-26 12:57:28,326 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: created\n",
+      "2021-02-26 12:57:28,326 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: created\n",
+      "2021-02-26 12:57:28,326 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: created\n",
+      "2021-02-26 12:57:28,326 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: created\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:28,866 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:29,280 - pyiron_log - INFO - job: s_01_e_0_00500 id: 89, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6497663)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -4.28752528211532e-12 1.60067610532305e-12    -20132.4595882059  2.8926503903338e-11    -20132.4595882059     48.6177865609657 \n",
+      "       1                    0    -14.7894511513578    -14.7894511513578    -20132.4596006128 -2.57251516926919e-12 -4.45902629339993e-12     -20132.459588206 -1.77217711660766e-11     -20132.459588206     48.6177865609657 \n",
+      "Loop time of 0.000541925 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "57.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7894511513578  -14.7894511513578  -14.7894511513578\n",
+      "  Force two-norm initial, final = 7.0453395e-10 4.1957839e-15\n",
+      "  Force max component initial, final = 2.4909347e-10 1.9394208e-15\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.9394208e-15\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00046587 | 0.00046587 | 0.00046587 |   0.0 | 85.97\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.3351e-05 | 1.3351e-05 | 1.3351e-05 |   0.0 |  2.46\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.27e-05   |            |       | 11.57\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,303 - pyiron_log - INFO - run job: s_01_e_0_00500 id: 89, status: collect\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:29,950 - pyiron_log - INFO - update master: 84 89 non_modal\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:30,057 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,075 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:31,116 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:33,932 - pyiron_log - INFO - elmat: run job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,079 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00500\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,517 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:34,658 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_08_e_m0_00500 was saved and received the ID: 90\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,000 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: created\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,480 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:35,784 - pyiron_log - INFO - job: s_08_e_m0_00500 id: 90, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6134493 3.6134493 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.000 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7914994136369    -14.7914994136369     16212.8582727494 -4.91761197251636e-11 -3.96222371087135e-11     16212.8582753846 -1.4067066429129e-12     12749.3354186935     47.4185551259464 \n",
+      "       1                    0    -14.7914994136369    -14.7914994136369     16212.8582727493 5.67957807076085e-11 -2.09833740901175e-11     16212.8582753842 -3.49332149656705e-11     12749.3354186936     47.4185551259464 \n",
+      "Loop time of 0.000401974 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7914994136369  -14.7914994136369  -14.7914994136369\n",
+      "  Force two-norm initial, final = 5.7656129e-10 1.2031842e-12\n",
+      "  Force max component initial, final = 2.8314858e-10 5.9102029e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 5.9102029e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 | 84.28\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  1.48\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 5.722e-05  |            |       | 14.23\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:35,809 - pyiron_log - INFO - run job: s_08_e_m0_00500 id: 90, status: collect\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,491 - pyiron_log - INFO - update master: 84 90 non_modal\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:36,635 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,339 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:37,363 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,060 - pyiron_log - INFO - elmat: run job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,224 - pyiron_log - INFO - elmat: finished job s_08_e_m0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,661 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:40,802 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_08_e_m0_00250 was saved and received the ID: 91\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,108 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: created\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:41,754 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:42,118 - pyiron_log - INFO - job: s_08_e_m0_00250 id: 91, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6225627 3.6225627 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7933188070384    -14.7933188070384     8173.46038957593 6.99818882653241e-13 -6.76491586564799e-12     8173.46039049776 -1.23634669268739e-11     6492.39214324755     47.6580427782286 \n",
+      "       1                    0    -14.7933188070384    -14.7933188070384     8173.46038957568 2.81677100267929e-11 -2.19276583231349e-11     8173.46039049767 -2.25108407253459e-11     6492.39214324732     47.6580427782286 \n",
+      "Loop time of 0.001019 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7933188070384  -14.7933188070384  -14.7933188070384\n",
+      "  Force two-norm initial, final = 5.6167695e-10 2.1039822e-13\n",
+      "  Force max component initial, final = 2.8022386e-10 1.0656233e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.0656233e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087786 | 0.00087786 | 0.00087786 |   0.0 | 86.15\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  1.75\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001233  |            |       | 12.10\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,144 - pyiron_log - INFO - run job: s_08_e_m0_00250 id: 91, status: collect\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,657 - pyiron_log - INFO - update master: 84 91 non_modal\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:42,769 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,476 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:43,508 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,475 - pyiron_log - INFO - elmat: run job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:46,624 - pyiron_log - INFO - elmat: finished job s_08_e_0_00250\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,047 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:57:47,169 - pyiron_log - INFO - run job: s_08_e_0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_08_e_0_00250 was saved and received the ID: 92\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,452 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: created\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:47,956 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,273 - pyiron_log - INFO - job: s_08_e_0_00250 id: 92, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6407211 3.6407211 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7934464421784    -14.7934464421784    -7157.09947938961 -4.04165714571193e-13 -2.30951836897825e-13    -7157.09947203275 -8.08331429142386e-13    -5573.82359521464     48.1370180820508 \n",
+      "       1                    0    -14.7934464421784    -14.7934464421784    -7157.09947938985 1.73213877673368e-13 4.50356081950758e-12    -7157.09947203286 3.81070530881411e-12    -5573.82359521458     48.1370180820508 \n",
+      "Loop time of 0.000560045 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7934464421784  -14.7934464421784  -14.7934464421784\n",
+      "  Force two-norm initial, final = 6.1913581e-10 1.4253667e-12\n",
+      "  Force max component initial, final = 2.7455614e-10 6.3081138e-13\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.3081138e-13\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00048423 | 0.00048423 | 0.00048423 |   0.0 | 86.46\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 |   0.0 |  1.92\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 6.509e-05  |            |       | 11.62\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,301 - pyiron_log - INFO - run job: s_08_e_0_00250 id: 92, status: collect\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n",
+      "2021-02-26 12:57:48,835 - pyiron_log - INFO - update master: 84 92 non_modal\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:48,946 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,634 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:49,663 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,631 - pyiron_log - INFO - elmat: run job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:53,758 - pyiron_log - INFO - elmat: finished job s_08_e_0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,188 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:57:54,347 - pyiron_log - INFO - run job: s_08_e_0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_08_e_0_00500 was saved and received the ID: 93\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:54,645 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: created\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,120 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: submitted, run job (modal)\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:57:55,496 - pyiron_log - INFO - job: s_08_e_0_00500 id: 93, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6497663 3.6497663 3.6316532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.10241489815685e-12 9.19234043898326e-13    -14465.0417166264 4.07910106979882e-11    -11392.7842134193     48.3765057337806 \n",
+      "       1                    0    -14.7918275585869    -14.7918275585869    -14465.0417297775 -3.42989202629563e-11 -1.03413829938562e-12    -14465.0417166263 -7.69858511764848e-12    -11392.7842134193     48.3765057337806 \n",
+      "Loop time of 0.00116682 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "75.1% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7918275585869  -14.7918275585869  -14.7918275585869\n",
+      "  Force two-norm initial, final = 7.4074689e-10 4.1570550e-12\n",
+      "  Force max component initial, final = 2.7181152e-10 1.5263433e-12\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.5263433e-12\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00099516 | 0.00099516 | 0.00099516 |   0.0 | 85.29\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.1219e-05 | 2.1219e-05 | 2.1219e-05 |   0.0 |  1.82\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001504  |            |       | 12.89\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:55,534 - pyiron_log - INFO - run job: s_08_e_0_00500 id: 93, status: collect\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,114 - pyiron_log - INFO - update master: 84 93 non_modal\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,224 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,919 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:57:56,962 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,405 - pyiron_log - INFO - elmat: run job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:00,558 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00500\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,121 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:01,236 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_23_e_m0_00500 was saved and received the ID: 94\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:01,554 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: created\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,048 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:02,407 - pyiron_log - INFO - job: s_23_e_m0_00500 id: 94, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312864) with tilt (-0.036316532 -0.036316532 -0.036681532)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904363777909    -14.7904363777909     783.670841507163     7690.86263938993     7768.94446514668      937.49580006595     7847.02628413189      1096.0296736043     47.8902973560701 \n",
+      "       1                    0    -14.7904363777909    -14.7904363777909      783.67084150734     7690.86263938987     7768.94446514658     937.495800066083     7847.02628413184     1096.02967360441     47.8902973560701 \n",
+      "Loop time of 0.00070715 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904363777909  -14.7904363777909  -14.7904363777909\n",
+      "  Force two-norm initial, final = 8.8613041e-10 2.2115047e-10\n",
+      "  Force max component initial, final = 3.1836710e-10 1.3798804e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.3798804e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00061083 | 0.00061083 | 0.00061083 |   0.0 | 86.38\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  3.44\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 7.2e-05    |            |       | 10.18\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,446 - pyiron_log - INFO - run job: s_23_e_m0_00500 id: 94, status: collect\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:02,980 - pyiron_log - INFO - update master: 84 94 non_modal\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,114 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,826 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:03,843 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,372 - pyiron_log - INFO - elmat: run job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:08,603 - pyiron_log - INFO - elmat: finished job s_23_e_m0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,057 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:09,203 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_23_e_m0_00250 was saved and received the ID: 95\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,541 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: created\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:09,995 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,341 - pyiron_log - INFO - job: s_23_e_m0_00250 id: 95, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315620) with tilt (-0.018158266 -0.018158266 -0.018249286)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930767688124    -14.7930767688124     484.761391864745     3879.24373067059       3898.786644188     523.554319490572     3918.32956834077     562.935019452714     47.8957282517768 \n",
+      "       1                    0    -14.7930767688124    -14.7930767688124     484.761391864873     3879.24373067052     3898.78664418818     523.554319490814     3918.32956834073     562.935019453041     47.8957282517768 \n",
+      "Loop time of 0.000831127 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "100.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930767688124  -14.7930767688124  -14.7930767688124\n",
+      "  Force two-norm initial, final = 6.4310091e-10 2.3457915e-10\n",
+      "  Force max component initial, final = 2.9416911e-10 1.1625968e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.1625968e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00067997 | 0.00067997 | 0.00067997 |   0.0 | 81.81\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  2.07\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.000134   |            |       | 16.12\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,376 - pyiron_log - INFO - run job: s_23_e_m0_00250 id: 95, status: collect\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,866 - pyiron_log - INFO - update master: 84 95 non_modal\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:10,980 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,932 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:11,971 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,574 - pyiron_log - INFO - elmat: run job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:16,736 - pyiron_log - INFO - elmat: finished job s_23_e_0_00250\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,271 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n",
+      "2021-02-26 12:58:17,404 - pyiron_log - INFO - run job: s_23_e_0_00250 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_23_e_0_00250 was saved and received the ID: 96\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:17,708 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: created\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,199 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:18,519 - pyiron_log - INFO - job: s_23_e_0_00250 id: 96, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6316078 3.6315629) with tilt (0.018158266 0.018158266 0.018067701)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7930783156657    -14.7930783156657     483.033615256219    -3947.19521847484    -3927.60603934748     522.506066440416    -3908.01687771025     561.392286461867      47.895740227153 \n",
+      "       1                    0    -14.7930783156657    -14.7930783156657     483.033615255855    -3947.19521847483    -3927.60603934746     522.506066440071    -3908.01687771015     561.392286461479      47.895740227153 \n",
+      "Loop time of 0.00101995 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "71.4% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7930783156657  -14.7930783156657  -14.7930783156657\n",
+      "  Force two-norm initial, final = 4.8526882e-10 1.8630561e-10\n",
+      "  Force max component initial, final = 2.9694981e-10 6.9544979e-11\n",
+      "  Final line search alpha, max atom move = 1.0000000 6.9544979e-11\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00087404 | 0.00087404 | 0.00087404 |   0.0 | 85.69\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 |   0.0 |  1.89\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 0.0001266  |            |       | 12.41\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:18,560 - pyiron_log - INFO - run job: s_23_e_0_00250 id: 96, status: collect\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,211 - pyiron_log - INFO - update master: 84 96 non_modal\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:19,336 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,080 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: False parallel master refresh\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:20,127 - pyiron_log - INFO - job: elmat id: 84 run parallel master (modal)\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:24,969 - pyiron_log - INFO - elmat: run job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,148 - pyiron_log - INFO - elmat: finished job s_23_e_0_00500\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n",
+      "2021-02-26 12:58:25,282 - pyiron_log - INFO - run job: s_23_e_0_00500 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job s_23_e_0_00500 was saved and received the ID: 97\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:25,642 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: created\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,145 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: submitted, run job (modal)\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:26,553 - pyiron_log - INFO - job: s_23_e_0_00500 id: 97, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  triclinic box = (0.0000000 0.0000000 0.0000000) to (3.6316532 3.6314717 3.6312937) with tilt (0.036316532 0.036316532 0.035955165)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  4 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 0 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 2 2 2\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up cg style minimization ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "Per MPI rank memory allocation (min/avg/max) = 5.334 | 5.334 | 5.334 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -14.7904487527996    -14.7904487527996     769.860996718993    -7962.88055756793     -7884.4266187523     929.126585202643    -7805.97266651596     1083.70787311811     47.8903931660378 \n",
+      "       1                    0    -14.7904487527996    -14.7904487527996     769.860996718569     -7962.8805575679     -7884.4266187524     929.126585202201     -7805.9726665159     1083.70787311797     47.8903931660378 \n",
+      "Loop time of 0.000711918 on 1 procs for 1 steps with 4 atoms\n",
+      "\n",
+      "62.5% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "Minimization stats:\n",
+      "  Stopping criterion = force tolerance\n",
+      "  Energy initial, next-to-last, final = \n",
+      "     -14.7904487527996  -14.7904487527996  -14.7904487527996\n",
+      "  Force two-norm initial, final = 7.4514178e-10 2.4339857e-10\n",
+      "  Force max component initial, final = 3.6331948e-10 1.2574339e-10\n",
+      "  Final line search alpha, max atom move = 1.0000000 1.2574339e-10\n",
+      "  Iterations, force evaluations = 1 2\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0.00060725 | 0.00060725 | 0.00060725 |   0.0 | 85.30\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 |   0.0 |  1.67\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.274e-05  |            |       | 13.03\n",
+      "\n",
+      "Nlocal:        4.00000 ave           4 max           4 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        360.000 ave         360 max         360 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      536.000 ave         536 max         536 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 536\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:26,595 - pyiron_log - INFO - run job: s_23_e_0_00500 id: 97, status: collect\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,181 - pyiron_log - INFO - update master: 84 97 non_modal\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:27,314 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,349 - pyiron_log - INFO - job: elmat id: 84, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,482 - pyiron_log - INFO - run job: elmat id: 84, status: collect\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:28,501 - pyiron_log - INFO - job: elmat id: 84, status: collect, finished\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,075 - pyiron_log - INFO - job: elmat id: 84, status: finished, parallel master\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n",
+      "2021-02-26 12:58:29,126 - pyiron_log - INFO - update master: None 84 non_modal\n"
+     ]
+    }
+   ],
+   "source": [
+    "elmat_job.run(run_mode=\"non_modal\", run_again=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 139,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "        vertical-align: top;\n",
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+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>id</th>\n",
+       "      <th>status</th>\n",
+       "      <th>chemicalformula</th>\n",
+       "      <th>job</th>\n",
+       "      <th>subjob</th>\n",
+       "      <th>projectpath</th>\n",
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+       "      <th>timestop</th>\n",
+       "      <th>totalcputime</th>\n",
+       "      <th>computer</th>\n",
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+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>81</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>opt_lammps</td>\n",
+       "      <td>/opt_lammps</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/</td>\n",
+       "      <td>2021-02-26 12:54:46.117385</td>\n",
+       "      <td>2021-02-26 12:54:46.617448</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>82</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>phon_job</td>\n",
+       "      <td>/phon_job</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/</td>\n",
+       "      <td>2021-02-26 12:54:58.745687</td>\n",
+       "      <td>2021-02-26 12:55:13.747981</td>\n",
+       "      <td>15.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1#1/1</td>\n",
+       "      <td>PhonopyJob</td>\n",
+       "      <td>0.0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>83</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu108</td>\n",
+       "      <td>ref_job_0</td>\n",
+       "      <td>/ref_job_0</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/phon_job_hdf5/</td>\n",
+       "      <td>2021-02-26 12:55:11.351661</td>\n",
+       "      <td>2021-02-26 12:55:11.862122</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>82.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>84</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>elmat</td>\n",
+       "      <td>/elmat</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/</td>\n",
+       "      <td>2021-02-26 12:57:05.499830</td>\n",
+       "      <td>2021-02-26 12:58:28.890465</td>\n",
+       "      <td>83.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1#1/13</td>\n",
+       "      <td>ElasticMatrixJob</td>\n",
+       "      <td>0.0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>85</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_e_0</td>\n",
+       "      <td>/s_e_0</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:09.134167</td>\n",
+       "      <td>2021-02-26 12:57:09.656789</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>86</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_m0_00500</td>\n",
+       "      <td>/s_01_e_m0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:14.089914</td>\n",
+       "      <td>2021-02-26 12:57:14.722149</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>87</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_m0_00250</td>\n",
+       "      <td>/s_01_e_m0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:18.778998</td>\n",
+       "      <td>2021-02-26 12:57:19.251781</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>88</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_0_00250</td>\n",
+       "      <td>/s_01_e_0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:23.312311</td>\n",
+       "      <td>2021-02-26 12:57:23.914459</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>89</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_0_00500</td>\n",
+       "      <td>/s_01_e_0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:29.045891</td>\n",
+       "      <td>2021-02-26 12:57:29.597258</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>90</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_m0_00500</td>\n",
+       "      <td>/s_08_e_m0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:35.593480</td>\n",
+       "      <td>2021-02-26 12:57:36.263261</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>91</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_m0_00250</td>\n",
+       "      <td>/s_08_e_m0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:41.882591</td>\n",
+       "      <td>2021-02-26 12:57:42.476024</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>11</th>\n",
+       "      <td>92</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_0_00250</td>\n",
+       "      <td>/s_08_e_0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:48.038449</td>\n",
+       "      <td>2021-02-26 12:57:48.582823</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>12</th>\n",
+       "      <td>93</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_0_00500</td>\n",
+       "      <td>/s_08_e_0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:57:55.227523</td>\n",
+       "      <td>2021-02-26 12:57:55.832857</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>13</th>\n",
+       "      <td>94</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_m0_00500</td>\n",
+       "      <td>/s_23_e_m0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:58:02.194587</td>\n",
+       "      <td>2021-02-26 12:58:02.731504</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>14</th>\n",
+       "      <td>95</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_m0_00250</td>\n",
+       "      <td>/s_23_e_m0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:58:10.117102</td>\n",
+       "      <td>2021-02-26 12:58:10.656974</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>15</th>\n",
+       "      <td>96</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_0_00250</td>\n",
+       "      <td>/s_23_e_0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:58:18.295211</td>\n",
+       "      <td>2021-02-26 12:58:18.843492</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>16</th>\n",
+       "      <td>97</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_0_00500</td>\n",
+       "      <td>/s_23_e_0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:58:26.298537</td>\n",
+       "      <td>2021-02-26 12:58:26.887632</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>84.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "    id    status chemicalformula              job            subjob  \\\n",
+       "0   81  finished             Cu4       opt_lammps       /opt_lammps   \n",
+       "1   82  finished             Cu4         phon_job         /phon_job   \n",
+       "2   83  finished           Cu108        ref_job_0        /ref_job_0   \n",
+       "3   84  finished             Cu4            elmat            /elmat   \n",
+       "4   85  finished             Cu4            s_e_0            /s_e_0   \n",
+       "5   86  finished             Cu4  s_01_e_m0_00500  /s_01_e_m0_00500   \n",
+       "6   87  finished             Cu4  s_01_e_m0_00250  /s_01_e_m0_00250   \n",
+       "7   88  finished             Cu4   s_01_e_0_00250   /s_01_e_0_00250   \n",
+       "8   89  finished             Cu4   s_01_e_0_00500   /s_01_e_0_00500   \n",
+       "9   90  finished             Cu4  s_08_e_m0_00500  /s_08_e_m0_00500   \n",
+       "10  91  finished             Cu4  s_08_e_m0_00250  /s_08_e_m0_00250   \n",
+       "11  92  finished             Cu4   s_08_e_0_00250   /s_08_e_0_00250   \n",
+       "12  93  finished             Cu4   s_08_e_0_00500   /s_08_e_0_00500   \n",
+       "13  94  finished             Cu4  s_23_e_m0_00500  /s_23_e_m0_00500   \n",
+       "14  95  finished             Cu4  s_23_e_m0_00250  /s_23_e_m0_00250   \n",
+       "15  96  finished             Cu4   s_23_e_0_00250   /s_23_e_0_00250   \n",
+       "16  97  finished             Cu4   s_23_e_0_00500   /s_23_e_0_00500   \n",
+       "\n",
+       "                    projectpath  \\\n",
+       "0   /home/yury/pyiron/projects/   \n",
+       "1   /home/yury/pyiron/projects/   \n",
+       "2   /home/yury/pyiron/projects/   \n",
+       "3   /home/yury/pyiron/projects/   \n",
+       "4   /home/yury/pyiron/projects/   \n",
+       "5   /home/yury/pyiron/projects/   \n",
+       "6   /home/yury/pyiron/projects/   \n",
+       "7   /home/yury/pyiron/projects/   \n",
+       "8   /home/yury/pyiron/projects/   \n",
+       "9   /home/yury/pyiron/projects/   \n",
+       "10  /home/yury/pyiron/projects/   \n",
+       "11  /home/yury/pyiron/projects/   \n",
+       "12  /home/yury/pyiron/projects/   \n",
+       "13  /home/yury/pyiron/projects/   \n",
+       "14  /home/yury/pyiron/projects/   \n",
+       "15  /home/yury/pyiron/projects/   \n",
+       "16  /home/yury/pyiron/projects/   \n",
+       "\n",
+       "                                          project                  timestart  \\\n",
+       "0                 pyiron-2021/test_ace_potential/ 2021-02-26 12:54:46.117385   \n",
+       "1                 pyiron-2021/test_ace_potential/ 2021-02-26 12:54:58.745687   \n",
+       "2   pyiron-2021/test_ace_potential/phon_job_hdf5/ 2021-02-26 12:55:11.351661   \n",
+       "3                 pyiron-2021/test_ace_potential/ 2021-02-26 12:57:05.499830   \n",
+       "4      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:09.134167   \n",
+       "5      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:14.089914   \n",
+       "6      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:18.778998   \n",
+       "7      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:23.312311   \n",
+       "8      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:29.045891   \n",
+       "9      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:35.593480   \n",
+       "10     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:41.882591   \n",
+       "11     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:48.038449   \n",
+       "12     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:57:55.227523   \n",
+       "13     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:58:02.194587   \n",
+       "14     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:58:10.117102   \n",
+       "15     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:58:18.295211   \n",
+       "16     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:58:26.298537   \n",
+       "\n",
+       "                     timestop  totalcputime                     computer  \\\n",
+       "0  2021-02-26 12:54:46.617448           0.0       pyiron@dell-inspiron#1   \n",
+       "1  2021-02-26 12:55:13.747981          15.0   pyiron@dell-inspiron#1#1/1   \n",
+       "2  2021-02-26 12:55:11.862122           0.0       pyiron@dell-inspiron#1   \n",
+       "3  2021-02-26 12:58:28.890465          83.0  pyiron@dell-inspiron#1#1/13   \n",
+       "4  2021-02-26 12:57:09.656789           0.0       pyiron@dell-inspiron#1   \n",
+       "5  2021-02-26 12:57:14.722149           0.0       pyiron@dell-inspiron#1   \n",
+       "6  2021-02-26 12:57:19.251781           0.0       pyiron@dell-inspiron#1   \n",
+       "7  2021-02-26 12:57:23.914459           0.0       pyiron@dell-inspiron#1   \n",
+       "8  2021-02-26 12:57:29.597258           0.0       pyiron@dell-inspiron#1   \n",
+       "9  2021-02-26 12:57:36.263261           0.0       pyiron@dell-inspiron#1   \n",
+       "10 2021-02-26 12:57:42.476024           0.0       pyiron@dell-inspiron#1   \n",
+       "11 2021-02-26 12:57:48.582823           0.0       pyiron@dell-inspiron#1   \n",
+       "12 2021-02-26 12:57:55.832857           0.0       pyiron@dell-inspiron#1   \n",
+       "13 2021-02-26 12:58:02.731504           0.0       pyiron@dell-inspiron#1   \n",
+       "14 2021-02-26 12:58:10.656974           0.0       pyiron@dell-inspiron#1   \n",
+       "15 2021-02-26 12:58:18.843492           0.0       pyiron@dell-inspiron#1   \n",
+       "16 2021-02-26 12:58:26.887632           0.0       pyiron@dell-inspiron#1   \n",
+       "\n",
+       "            hamilton hamversion parentid  masterid  \n",
+       "0             Lammps        0.1     None       NaN  \n",
+       "1         PhonopyJob      0.0.1     None       NaN  \n",
+       "2             Lammps        0.1     None      82.0  \n",
+       "3   ElasticMatrixJob      0.0.1     None       NaN  \n",
+       "4             Lammps        0.1     None      84.0  \n",
+       "5             Lammps        0.1     None      84.0  \n",
+       "6             Lammps        0.1     None      84.0  \n",
+       "7             Lammps        0.1     None      84.0  \n",
+       "8             Lammps        0.1     None      84.0  \n",
+       "9             Lammps        0.1     None      84.0  \n",
+       "10            Lammps        0.1     None      84.0  \n",
+       "11            Lammps        0.1     None      84.0  \n",
+       "12            Lammps        0.1     None      84.0  \n",
+       "13            Lammps        0.1     None      84.0  \n",
+       "14            Lammps        0.1     None      84.0  \n",
+       "15            Lammps        0.1     None      84.0  \n",
+       "16            Lammps        0.1     None      84.0  "
+      ]
+     },
+     "execution_count": 139,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "test_pr.job_table()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 140,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[185.94676377, 120.73237664, 120.73237664,   0.        ,\n",
+       "          0.        ,   0.        ],\n",
+       "       [120.73237664, 185.94676377, 120.73237664,   0.        ,\n",
+       "          0.        ,   0.        ],\n",
+       "       [120.73237664, 120.73237664, 185.94676377,   0.        ,\n",
+       "          0.        ,   0.        ],\n",
+       "       [  0.        ,   0.        ,   0.        ,  78.34168019,\n",
+       "          0.        ,   0.        ],\n",
+       "       [  0.        ,   0.        ,   0.        ,   0.        ,\n",
+       "         78.34168019,   0.        ],\n",
+       "       [  0.        ,   0.        ,   0.        ,   0.        ,\n",
+       "          0.        ,  78.34168019]])"
+      ]
+     },
+     "execution_count": 140,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "elmat_job[\"output/elasticmatrix\"][\"C\"]"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Phonons"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 100,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "phon_job = test_pr.create.job.PhonopyJob(\"phon_job\", delete_existing_job=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 101,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job = test_pr.create.job.Lammps(\"ref_job\", delete_existing_job=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 102,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.executable.version=\"2020.12.24_pace\""
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 103,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.calc_static()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 104,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.potential = cu_ace_potential"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 105,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "ref_job.structure = lammps_job.get_structure()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 106,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "phon_job.ref_job = ref_job"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 107,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job phon_job was saved and received the ID: 82\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:55:09,485 - pyiron_log - INFO - job: phon_job id: 82 run parallel master (modal)\n",
+      "2021-02-26 12:55:09,485 - pyiron_log - INFO - job: phon_job id: 82 run parallel master (modal)\n",
+      "2021-02-26 12:55:10,131 - pyiron_log - INFO - phon_job: run job ref_job_0\n",
+      "2021-02-26 12:55:10,131 - pyiron_log - INFO - phon_job: run job ref_job_0\n",
+      "2021-02-26 12:55:10,251 - pyiron_log - INFO - phon_job: finished job ref_job_0\n",
+      "2021-02-26 12:55:10,251 - pyiron_log - INFO - phon_job: finished job ref_job_0\n",
+      "2021-02-26 12:55:10,353 - pyiron_log - INFO - run job: ref_job_0 id: None, status: initialized\n",
+      "2021-02-26 12:55:10,353 - pyiron_log - INFO - run job: ref_job_0 id: None, status: initialized\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "The job ref_job_0 was saved and received the ID: 83\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:55:10,721 - pyiron_log - INFO - run job: ref_job_0 id: 83, status: created\n",
+      "2021-02-26 12:55:10,721 - pyiron_log - INFO - run job: ref_job_0 id: 83, status: created\n",
+      "2021-02-26 12:55:11,237 - pyiron_log - INFO - job: ref_job_0 id: 83, status: submitted, run job (modal)\n",
+      "2021-02-26 12:55:11,237 - pyiron_log - INFO - job: ref_job_0 id: 83, status: submitted, run job (modal)\n",
+      "2021-02-26 12:55:11,237 - pyiron_log - INFO - job: ref_job_0 id: 83, status: submitted, run job (modal)\n",
+      "2021-02-26 12:55:11,576 - pyiron_log - INFO - job: ref_job_0 id: 83, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (10.895946 10.895946 10.895946)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  108 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 10 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 4 4 4\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up Verlet run ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "  Time step     : 0.001\n",
+      "Per MPI rank memory allocation (min/avg/max) = 4.368 | 4.368 | 4.368 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -399.436505802297    -399.436505802297    0.911331439509588 -5.43349728175251e-08 -5.4327631216124e-08    0.850463666952148 9.16142475108073e-12    0.850463666969532     1293.58446227028 \n",
+      "Loop time of 9.53674e-07 on 1 procs for 0 steps with 108 atoms\n",
+      "\n",
+      "0.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.537e-07  |            |       |100.00\n",
+      "\n",
+      "Nlocal:        108.000 ave         108 max         108 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        990.000 ave         990 max         990 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      14472.0 ave       14472 max       14472 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 14472\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:55:11,576 - pyiron_log - INFO - job: ref_job_0 id: 83, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (10.895946 10.895946 10.895946)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  108 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 10 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 4 4 4\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up Verlet run ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "  Time step     : 0.001\n",
+      "Per MPI rank memory allocation (min/avg/max) = 4.368 | 4.368 | 4.368 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -399.436505802297    -399.436505802297    0.911331439509588 -5.43349728175251e-08 -5.4327631216124e-08    0.850463666952148 9.16142475108073e-12    0.850463666969532     1293.58446227028 \n",
+      "Loop time of 9.53674e-07 on 1 procs for 0 steps with 108 atoms\n",
+      "\n",
+      "0.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.537e-07  |            |       |100.00\n",
+      "\n",
+      "Nlocal:        108.000 ave         108 max         108 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        990.000 ave         990 max         990 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      14472.0 ave       14472 max       14472 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 14472\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n",
+      "2021-02-26 12:55:11,576 - pyiron_log - INFO - job: ref_job_0 id: 83, status: collect, output: LAMMPS (24 Dec 2020)\n",
+      "Reading data file ...\n",
+      "  orthogonal box = (0.0000000 0.0000000 0.0000000) to (10.895946 10.895946 10.895946)\n",
+      "  1 by 1 by 1 MPI processor grid\n",
+      "  reading atoms ...\n",
+      "  108 atoms\n",
+      "  read_data CPU = 0.001 seconds\n",
+      "ACE version: 2021.2.3\n",
+      "Recursive evaluator is used\n",
+      "Loading /home/yury/pyiron/projects/pyiron-2021/pacemaker_fit/df1_cut5_hdf5/df1_cut5/df1_cut5.ace\n",
+      "Total number of basis functions\n",
+      "\tCu: 15 (r=1) 11 (r>1)\n",
+      "Mapping LAMMPS atom type #1(Cu) -> ACE species type #0\n",
+      "Neighbor list info ...\n",
+      "  update every 1 steps, delay 10 steps, check yes\n",
+      "  max neighbors/atom: 2000, page size: 100000\n",
+      "  master list distance cutoff = 7\n",
+      "  ghost atom cutoff = 7\n",
+      "  binsize = 3.5, bins = 4 4 4\n",
+      "  1 neighbor lists, perpetual/occasional/extra = 1 0 0\n",
+      "  (1) pair pace, perpetual\n",
+      "      attributes: full, newton on\n",
+      "      pair build: full/bin/atomonly\n",
+      "      stencil: full/bin/3d\n",
+      "      bin: standard\n",
+      "Setting up Verlet run ...\n",
+      "  Unit style    : metal\n",
+      "  Current step  : 0\n",
+      "  Time step     : 0.001\n",
+      "Per MPI rank memory allocation (min/avg/max) = 4.368 | 4.368 | 4.368 Mbytes\n",
+      "Step Temp PotEng TotEng Pxx Pxy Pxz Pyy Pyz Pzz Volume \n",
+      "       0                    0    -399.436505802297    -399.436505802297    0.911331439509588 -5.43349728175251e-08 -5.4327631216124e-08    0.850463666952148 9.16142475108073e-12    0.850463666969532     1293.58446227028 \n",
+      "Loop time of 9.53674e-07 on 1 procs for 0 steps with 108 atoms\n",
+      "\n",
+      "0.0% CPU use with 1 MPI tasks x no OpenMP threads\n",
+      "\n",
+      "MPI task timing breakdown:\n",
+      "Section |  min time  |  avg time  |  max time  |%varavg| %total\n",
+      "---------------------------------------------------------------\n",
+      "Pair    | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Neigh   | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Comm    | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Output  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Modify  | 0          | 0          | 0          |   0.0 |  0.00\n",
+      "Other   |            | 9.537e-07  |            |       |100.00\n",
+      "\n",
+      "Nlocal:        108.000 ave         108 max         108 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Nghost:        990.000 ave         990 max         990 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "Neighs:         0.00000 ave           0 max           0 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "FullNghs:      14472.0 ave       14472 max       14472 min\n",
+      "Histogram: 1 0 0 0 0 0 0 0 0 0\n",
+      "\n",
+      "Total # of neighbors = 14472\n",
+      "Ave neighs/atom = 134.00000\n",
+      "Neighbor list builds = 0\n",
+      "Dangerous builds = 0\n",
+      "Total wall time: 0:00:00\n",
+      "\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "2021-02-26 12:55:11,589 - pyiron_log - INFO - run job: ref_job_0 id: 83, status: collect\n",
+      "2021-02-26 12:55:11,589 - pyiron_log - INFO - run job: ref_job_0 id: 83, status: collect\n",
+      "2021-02-26 12:55:11,589 - pyiron_log - INFO - run job: ref_job_0 id: 83, status: collect\n",
+      "2021-02-26 12:55:12,083 - pyiron_log - INFO - update master: 82 83 non_modal\n",
+      "2021-02-26 12:55:12,083 - pyiron_log - INFO - update master: 82 83 non_modal\n",
+      "2021-02-26 12:55:12,083 - pyiron_log - INFO - update master: 82 83 non_modal\n",
+      "2021-02-26 12:55:12,207 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:55:12,207 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:55:12,207 - pyiron_log - INFO - run_if_refresh() called\n",
+      "2021-02-26 12:55:12,904 - pyiron_log - INFO - job: phon_job id: 82, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:55:12,904 - pyiron_log - INFO - job: phon_job id: 82, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:55:12,904 - pyiron_log - INFO - job: phon_job id: 82, status: refresh, finished: True parallel master refresh\n",
+      "2021-02-26 12:55:13,030 - pyiron_log - INFO - run job: phon_job id: 82, status: collect\n",
+      "2021-02-26 12:55:13,030 - pyiron_log - INFO - run job: phon_job id: 82, status: collect\n",
+      "2021-02-26 12:55:13,030 - pyiron_log - INFO - run job: phon_job id: 82, status: collect\n",
+      "2021-02-26 12:55:13,035 - pyiron_log - INFO - job: phon_job id: 82, status: collect, finished\n",
+      "2021-02-26 12:55:13,035 - pyiron_log - INFO - job: phon_job id: 82, status: collect, finished\n",
+      "2021-02-26 12:55:13,035 - pyiron_log - INFO - job: phon_job id: 82, status: collect, finished\n",
+      "2021-02-26 12:55:13,978 - pyiron_log - INFO - job: phon_job id: 82, status: finished, parallel master\n",
+      "2021-02-26 12:55:13,978 - pyiron_log - INFO - job: phon_job id: 82, status: finished, parallel master\n",
+      "2021-02-26 12:55:13,978 - pyiron_log - INFO - job: phon_job id: 82, status: finished, parallel master\n",
+      "2021-02-26 12:55:13,988 - pyiron_log - INFO - update master: None 82 non_modal\n",
+      "2021-02-26 12:55:13,988 - pyiron_log - INFO - update master: None 82 non_modal\n",
+      "2021-02-26 12:55:13,988 - pyiron_log - INFO - update master: None 82 non_modal\n"
+     ]
+    }
+   ],
+   "source": [
+    "phon_job.run(run_mode=\"non_modal\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 122,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>id</th>\n",
+       "      <th>status</th>\n",
+       "      <th>chemicalformula</th>\n",
+       "      <th>job</th>\n",
+       "      <th>subjob</th>\n",
+       "      <th>projectpath</th>\n",
+       "      <th>project</th>\n",
+       "      <th>timestart</th>\n",
+       "      <th>timestop</th>\n",
+       "      <th>totalcputime</th>\n",
+       "      <th>computer</th>\n",
+       "      <th>hamilton</th>\n",
+       "      <th>hamversion</th>\n",
+       "      <th>parentid</th>\n",
+       "      <th>masterid</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>64</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>elmat</td>\n",
+       "      <td>/elmat</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/</td>\n",
+       "      <td>2021-02-26 12:50:04.490993</td>\n",
+       "      <td>2021-02-26 12:51:24.937689</td>\n",
+       "      <td>80.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1#1/13</td>\n",
+       "      <td>ElasticMatrixJob</td>\n",
+       "      <td>0.0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>65</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_e_0</td>\n",
+       "      <td>/s_e_0</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:08.150673</td>\n",
+       "      <td>2021-02-26 12:50:08.670702</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>66</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_m0_00500</td>\n",
+       "      <td>/s_01_e_m0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:13.073071</td>\n",
+       "      <td>2021-02-26 12:50:13.600686</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>67</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_m0_00250</td>\n",
+       "      <td>/s_01_e_m0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:17.795531</td>\n",
+       "      <td>2021-02-26 12:50:18.350906</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>68</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_0_00250</td>\n",
+       "      <td>/s_01_e_0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:22.684634</td>\n",
+       "      <td>2021-02-26 12:50:23.240086</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>69</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_01_e_0_00500</td>\n",
+       "      <td>/s_01_e_0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:27.896122</td>\n",
+       "      <td>2021-02-26 12:50:28.480391</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>70</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_m0_00500</td>\n",
+       "      <td>/s_08_e_m0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:33.162833</td>\n",
+       "      <td>2021-02-26 12:50:33.698030</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>71</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_m0_00250</td>\n",
+       "      <td>/s_08_e_m0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:39.052056</td>\n",
+       "      <td>2021-02-26 12:50:39.605935</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>72</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_0_00250</td>\n",
+       "      <td>/s_08_e_0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:45.441164</td>\n",
+       "      <td>2021-02-26 12:50:46.030061</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>73</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_08_e_0_00500</td>\n",
+       "      <td>/s_08_e_0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:52.363621</td>\n",
+       "      <td>2021-02-26 12:50:53.040951</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>74</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_m0_00500</td>\n",
+       "      <td>/s_23_e_m0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:50:59.197030</td>\n",
+       "      <td>2021-02-26 12:50:59.752488</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>11</th>\n",
+       "      <td>75</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_m0_00250</td>\n",
+       "      <td>/s_23_e_m0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:51:06.936599</td>\n",
+       "      <td>2021-02-26 12:51:07.532550</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>12</th>\n",
+       "      <td>76</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_0_00250</td>\n",
+       "      <td>/s_23_e_0_00250</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:51:14.653314</td>\n",
+       "      <td>2021-02-26 12:51:15.237690</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>13</th>\n",
+       "      <td>77</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>s_23_e_0_00500</td>\n",
+       "      <td>/s_23_e_0_00500</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/elmat_hdf5/</td>\n",
+       "      <td>2021-02-26 12:51:22.553693</td>\n",
+       "      <td>2021-02-26 12:51:23.112042</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>64.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>14</th>\n",
+       "      <td>81</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>opt_lammps</td>\n",
+       "      <td>/opt_lammps</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/</td>\n",
+       "      <td>2021-02-26 12:54:46.117385</td>\n",
+       "      <td>2021-02-26 12:54:46.617448</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>15</th>\n",
+       "      <td>82</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu4</td>\n",
+       "      <td>phon_job</td>\n",
+       "      <td>/phon_job</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/</td>\n",
+       "      <td>2021-02-26 12:54:58.745687</td>\n",
+       "      <td>2021-02-26 12:55:13.747981</td>\n",
+       "      <td>15.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1#1/1</td>\n",
+       "      <td>PhonopyJob</td>\n",
+       "      <td>0.0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>16</th>\n",
+       "      <td>83</td>\n",
+       "      <td>finished</td>\n",
+       "      <td>Cu108</td>\n",
+       "      <td>ref_job_0</td>\n",
+       "      <td>/ref_job_0</td>\n",
+       "      <td>/home/yury/pyiron/projects/</td>\n",
+       "      <td>pyiron-2021/test_ace_potential/phon_job_hdf5/</td>\n",
+       "      <td>2021-02-26 12:55:11.351661</td>\n",
+       "      <td>2021-02-26 12:55:11.862122</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pyiron@dell-inspiron#1</td>\n",
+       "      <td>Lammps</td>\n",
+       "      <td>0.1</td>\n",
+       "      <td>None</td>\n",
+       "      <td>82.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "    id    status chemicalformula              job            subjob  \\\n",
+       "0   64  finished             Cu4            elmat            /elmat   \n",
+       "1   65  finished             Cu4            s_e_0            /s_e_0   \n",
+       "2   66  finished             Cu4  s_01_e_m0_00500  /s_01_e_m0_00500   \n",
+       "3   67  finished             Cu4  s_01_e_m0_00250  /s_01_e_m0_00250   \n",
+       "4   68  finished             Cu4   s_01_e_0_00250   /s_01_e_0_00250   \n",
+       "5   69  finished             Cu4   s_01_e_0_00500   /s_01_e_0_00500   \n",
+       "6   70  finished             Cu4  s_08_e_m0_00500  /s_08_e_m0_00500   \n",
+       "7   71  finished             Cu4  s_08_e_m0_00250  /s_08_e_m0_00250   \n",
+       "8   72  finished             Cu4   s_08_e_0_00250   /s_08_e_0_00250   \n",
+       "9   73  finished             Cu4   s_08_e_0_00500   /s_08_e_0_00500   \n",
+       "10  74  finished             Cu4  s_23_e_m0_00500  /s_23_e_m0_00500   \n",
+       "11  75  finished             Cu4  s_23_e_m0_00250  /s_23_e_m0_00250   \n",
+       "12  76  finished             Cu4   s_23_e_0_00250   /s_23_e_0_00250   \n",
+       "13  77  finished             Cu4   s_23_e_0_00500   /s_23_e_0_00500   \n",
+       "14  81  finished             Cu4       opt_lammps       /opt_lammps   \n",
+       "15  82  finished             Cu4         phon_job         /phon_job   \n",
+       "16  83  finished           Cu108        ref_job_0        /ref_job_0   \n",
+       "\n",
+       "                    projectpath  \\\n",
+       "0   /home/yury/pyiron/projects/   \n",
+       "1   /home/yury/pyiron/projects/   \n",
+       "2   /home/yury/pyiron/projects/   \n",
+       "3   /home/yury/pyiron/projects/   \n",
+       "4   /home/yury/pyiron/projects/   \n",
+       "5   /home/yury/pyiron/projects/   \n",
+       "6   /home/yury/pyiron/projects/   \n",
+       "7   /home/yury/pyiron/projects/   \n",
+       "8   /home/yury/pyiron/projects/   \n",
+       "9   /home/yury/pyiron/projects/   \n",
+       "10  /home/yury/pyiron/projects/   \n",
+       "11  /home/yury/pyiron/projects/   \n",
+       "12  /home/yury/pyiron/projects/   \n",
+       "13  /home/yury/pyiron/projects/   \n",
+       "14  /home/yury/pyiron/projects/   \n",
+       "15  /home/yury/pyiron/projects/   \n",
+       "16  /home/yury/pyiron/projects/   \n",
+       "\n",
+       "                                          project                  timestart  \\\n",
+       "0                 pyiron-2021/test_ace_potential/ 2021-02-26 12:50:04.490993   \n",
+       "1      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:08.150673   \n",
+       "2      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:13.073071   \n",
+       "3      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:17.795531   \n",
+       "4      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:22.684634   \n",
+       "5      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:27.896122   \n",
+       "6      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:33.162833   \n",
+       "7      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:39.052056   \n",
+       "8      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:45.441164   \n",
+       "9      pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:52.363621   \n",
+       "10     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:50:59.197030   \n",
+       "11     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:51:06.936599   \n",
+       "12     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:51:14.653314   \n",
+       "13     pyiron-2021/test_ace_potential/elmat_hdf5/ 2021-02-26 12:51:22.553693   \n",
+       "14                pyiron-2021/test_ace_potential/ 2021-02-26 12:54:46.117385   \n",
+       "15                pyiron-2021/test_ace_potential/ 2021-02-26 12:54:58.745687   \n",
+       "16  pyiron-2021/test_ace_potential/phon_job_hdf5/ 2021-02-26 12:55:11.351661   \n",
+       "\n",
+       "                     timestop  totalcputime                     computer  \\\n",
+       "0  2021-02-26 12:51:24.937689          80.0  pyiron@dell-inspiron#1#1/13   \n",
+       "1  2021-02-26 12:50:08.670702           0.0       pyiron@dell-inspiron#1   \n",
+       "2  2021-02-26 12:50:13.600686           0.0       pyiron@dell-inspiron#1   \n",
+       "3  2021-02-26 12:50:18.350906           0.0       pyiron@dell-inspiron#1   \n",
+       "4  2021-02-26 12:50:23.240086           0.0       pyiron@dell-inspiron#1   \n",
+       "5  2021-02-26 12:50:28.480391           0.0       pyiron@dell-inspiron#1   \n",
+       "6  2021-02-26 12:50:33.698030           0.0       pyiron@dell-inspiron#1   \n",
+       "7  2021-02-26 12:50:39.605935           0.0       pyiron@dell-inspiron#1   \n",
+       "8  2021-02-26 12:50:46.030061           0.0       pyiron@dell-inspiron#1   \n",
+       "9  2021-02-26 12:50:53.040951           0.0       pyiron@dell-inspiron#1   \n",
+       "10 2021-02-26 12:50:59.752488           0.0       pyiron@dell-inspiron#1   \n",
+       "11 2021-02-26 12:51:07.532550           0.0       pyiron@dell-inspiron#1   \n",
+       "12 2021-02-26 12:51:15.237690           0.0       pyiron@dell-inspiron#1   \n",
+       "13 2021-02-26 12:51:23.112042           0.0       pyiron@dell-inspiron#1   \n",
+       "14 2021-02-26 12:54:46.617448           0.0       pyiron@dell-inspiron#1   \n",
+       "15 2021-02-26 12:55:13.747981          15.0   pyiron@dell-inspiron#1#1/1   \n",
+       "16 2021-02-26 12:55:11.862122           0.0       pyiron@dell-inspiron#1   \n",
+       "\n",
+       "            hamilton hamversion parentid  masterid  \n",
+       "0   ElasticMatrixJob      0.0.1     None       NaN  \n",
+       "1             Lammps        0.1     None      64.0  \n",
+       "2             Lammps        0.1     None      64.0  \n",
+       "3             Lammps        0.1     None      64.0  \n",
+       "4             Lammps        0.1     None      64.0  \n",
+       "5             Lammps        0.1     None      64.0  \n",
+       "6             Lammps        0.1     None      64.0  \n",
+       "7             Lammps        0.1     None      64.0  \n",
+       "8             Lammps        0.1     None      64.0  \n",
+       "9             Lammps        0.1     None      64.0  \n",
+       "10            Lammps        0.1     None      64.0  \n",
+       "11            Lammps        0.1     None      64.0  \n",
+       "12            Lammps        0.1     None      64.0  \n",
+       "13            Lammps        0.1     None      64.0  \n",
+       "14            Lammps        0.1     None       NaN  \n",
+       "15        PhonopyJob      0.0.1     None       NaN  \n",
+       "16            Lammps        0.1     None      82.0  "
+      ]
+     },
+     "execution_count": 122,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "test_pr.job_table(full_table=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 110,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<AxesSubplot:title={'center':'Phonon DOS vs Energy'}, xlabel='Frequency [THz]', ylabel='DOS'>"
+      ]
+     },
+     "execution_count": 110,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": 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\n",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "needs_background": "light"
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "phon_job.plot_dos()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python (pyiron2021)",
+   "language": "python",
+   "name": "pyiron2021"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.8.5"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}