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Commit 4b2e4ca2 authored by Daniel Speckhard's avatar Daniel Speckhard Committed by Adam Fekete
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Update notebook based on reviewer's comments

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1 merge request!2Update notebook based on reviewer's comments
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with 981 additions and 231 deletions
cbs_with_qrf.ipynb
+ 756
− 223
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data/error_estimates_qrf/aims_X_test.csv
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,A_rs,B_rs,A_EA_delta,A_IP_delta,B_EA_delta,B_IP_delta,A_stoich_error,B_stoich_error,binary_diff_basis_functions_pve
,A_rs (A),B_rs (A),A_EA_delta(eV),A_IP_delta (eV),B_EA_delta (eV),B_IP_delta (eV),A_stoich_error (eV/atom),B_stoich_error (eV/atom),binary_diff_basis_functions_pve
3255,1.4968,0.5348,-0.394700909,7.084616393999999,0.13751649900000001,14.847717177,1.077585961600562,1.9045522938688464,42.8
1340,0.4597,1.4079,-1.8135151409999999,13.536399783,-1.102081859,7.925716839,7.137706506910035e-05,0.0260488681669812,0.0
1321,0.7475,1.2951,-2.161912664,10.215659841,0.47258754799999997,7.186420695,0.0006738868996762,0.0023878925003373,-8.333333333333334
......
data/error_estimates_qrf/aims_X_train.csv
+ 1
− 1
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,A_rs,B_rs,A_EA_delta,A_IP_delta,B_EA_delta,B_IP_delta,A_stoich_error,B_stoich_error,binary_diff_basis_functions_pve
,A_rs (A),B_rs (A),A_EA_delta(eV),A_IP_delta (eV),B_EA_delta (eV),B_IP_delta (eV),A_stoich_error (eV/atom),B_stoich_error (eV/atom),binary_diff_basis_functions_pve
2523,0.6409,1.4464,-1.62667163,11.61299938,-0.871430425,7.319981845,0.0354386215963131,0.0032569555041845,26.9
1691,0.40399999999999997,1.6348,-3.872247645,17.744721999,-0.44336097399999996,5.47070464,0.30867881516246604,0.2694286343416792,65.71428571428571
3644,0.6409,1.5843,-1.62667163,11.61299938,-0.526476342,6.579855169,-0.0,0.0056097844753821,13.5
......
data/error_estimates_qrf/aims_y_test.csv
+ 1
− 1
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,binary_energy_error
,binary_energy_error (eV/atom)
3255,1.0790953612486192
1340,0.0240928323401021
1321,0.002271693869261
......
data/error_estimates_qrf/aims_y_train.csv
+ 1
− 1
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,binary_energy_error
,binary_energy_error (eV/atom)
2523,0.0183616187423467
1691,1.078951568762477
3644,0.0035658165616041
......
data/error_estimates_qrf/exciting_X_test.csv
+ 1
− 1
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,precision_level,A_rs,B_rs,A_EA_delta,A_IP_delta,B_EA_delta,B_IP_delta,A_stoich_error,B_stoich_error
,precision_level,A_rs (A),B_rs (A),A_EA_delta (eV),A_IP_delta (eV),B_EA_delta (eV),B_IP_delta (eV),A_stoich_error (eV/atom),B_stoich_error (eV/atom)
9,30.0,0.4597,1.3534,-1.8135151409999999,13.536399783,0.5078141629999999,7.927674522999999,8.978677801077879,1.2235742426450995
42,30.0,0.6782,1.3202,-3.692423862,13.023881780999998,-1.2844088759999999,7.9608032060000005,8.201604635256443,14.597445714389325
33,30.0,0.4597,1.9569999999999999,-1.8135151409999999,13.536399783,0.161821142,5.895694187999999,8.978677801077879,7.7616359770981935
......
data/error_estimates_qrf/exciting_X_train.csv
+ 1
− 1
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,precision_level,A_rs,B_rs,A_EA_delta,A_IP_delta,B_EA_delta,B_IP_delta,A_stoich_error,B_stoich_error
,precision_level,A_rs (A),B_rs (A),A_EA_delta (eV),A_IP_delta (eV),B_EA_delta (eV),B_IP_delta (eV),A_stoich_error (eV/atom),B_stoich_error (eV/atom)
291,70.0,0.7517,2.2067,-3.486670625,11.864677775,-0.45569417799999995,4.391262303,0.0126835716509958,0.0120363486130372
63,30.0,0.40399999999999997,0.9947,-3.872247645,17.744721999,-0.765292567,8.5669863421,15.75048978058294,5.892594848759472
239,60.0,0.8359,1.1449,-0.681535392,10.491352025,-0.503828411,5.535885081,0.0206043497400969,0.0879370264883618
......
data/error_estimates_qrf/exciting_y_test.csv
+ 1
− 1
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,binary_energy_error
,binary_energy_error (eV/atom)
9,7.558066233656063
42,38.048985348112176
33,14.750508114251714
......
data/error_estimates_qrf/exciting_y_train.csv
+ 1
− 1
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,binary_energy_error
,binary_energy_error (eV/atom)
291,0.0141989062467473
63,25.62931337719783
239,0.1531549186038319
......
data/error_estimates_qrf/sisso_aims_trained_model_predictions.csv 0 → 100644
+ 138
− 0
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# Sample ID , Property Value , Property Value (EST) , Feature 0 Value , Feature 1 Value , Feature 2 Value
2 , 1.066062994973473e+00, 1.303423805730235e+00, 8.548559011192589e-01, -1.795305887292489e+00, 1.500456789463462e+00
6 , 8.516937151569928e-01, 4.643520542638197e-01, 7.673534875238697e-01, -1.723791859052982e+00, 6.363007955545382e-01
10 , -3.307062608030853e-01, -1.259858157289676e-01, -5.763025477969893e-01, 4.231465449029566e-01, 3.404480110632396e-02
24 , 6.449375788077881e-01, 9.484225767760204e-01, -8.130433246984144e-01, 1.838578589318986e+00, 1.149917089487642e+00
30 , 3.297270627370408e-01, 2.147143036285815e-01, 1.136377461474320e+00, -2.640814869081311e+00, 3.750051401310013e-01
31 , -8.955680080715109e-01, -1.069301737153993e+00, -3.652921468616387e-01, 2.327604790761733e+00, -9.194873595906989e-01
39 , 1.318798694219848e-01, 2.168609526417674e-01, -5.681416016974420e-01, 1.545474917347915e+00, 3.964610893221768e-01
41 , 2.724787999186127e-02, 1.643007086952744e-01, -5.428345995259781e-01, 1.393323408774855e+00, 3.413085084487277e-01
44 , -5.691332055889314e-01, -3.572697184881501e-01, -4.834961888110259e-01, 3.658363126489365e-01, -2.037268340447307e-01
49 , -1.865514040120472e-01, -3.148076290042222e-01, -2.176699685353805e-01, 1.832487177440032e+00, -1.453894529837785e-01
51 , -1.045764744860567e-01, 6.909456084940689e-01, 3.185453294840270e-01, 2.533636786595784e-02, 8.800575651389390e-01
54 , 3.820350757899715e-01, 5.408607015806103e-01, -6.449459946079212e-01, 1.456257694470481e+00, 7.286258464999914e-01
55 , 5.494769679356600e-01, 5.145866395200283e-01, 6.430734963819892e-02, -1.669061886868218e-01, 6.945516845535566e-01
56 , 4.443893228371929e-01, 4.779700340583708e-01, -5.366341769469232e-01, 4.560055151530358e-01, 6.565443274539391e-01
60 , 6.456552701702912e-01, -2.522605316790387e-01, 1.872019059714976e+00, -7.301534186255271e+00, -1.378452326253843e-01
63 , 4.408246244115985e-01, -2.234617748494699e-01, -1.128691896267914e+00, 3.830198238786180e+00, -4.304153999506952e-02
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380 , -4.007787396834549e+00, -4.931662037694314e+00, -3.193353040493055e+01, 2.666789242039848e+01, -4.982069179521342e+00
381 , -5.255711683563343e+00, -4.555554114923873e+00, 3.071784769732312e+01, -1.821367406734226e+02, -5.758812170687085e+00
395 , -3.042304723150318e+00, -3.120177838526185e+00, 1.810567454071907e+00, -2.661285441879084e+00, -3.052793166090023e+00
405 , -3.583032023013334e+00, -3.345636890950137e+00, -1.371234114351644e+00, 1.954038868374304e+00, -3.275603736408967e+00
408 , -3.594355729003386e+00, -2.895989616316546e+00, -1.193865978973871e+00, 1.641236793531158e+00, -2.813605240745829e+00
411 , -4.138740278948986e+00, -4.607243427105987e+00, -1.035426747555256e+01, 2.146841967312833e+01, -4.494371078769256e+00
432 , -3.847306121253370e+00, -4.180047713884706e+00, -3.974992382391593e+00, 1.867935430729847e+00, -4.159227765902693e+00
452 , -8.007095394813589e+00, -7.850820313212935e+00, -6.918355866633142e+00, 5.612608292680852e+01, -7.514702145382575e+00
453 , -7.174881918905016e+00, -7.200947349731261e+00, 1.508607284439365e+01, -2.875063292469179e+01, -7.350304590702720e+00
468 , -6.133259647918264e+00, -7.319866102577741e+00, 6.241827528778006e+00, -8.046179466875342e-01, -7.321150186562376e+00
480 , -7.920145357453809e+00, -7.430003630042081e+00, -1.404147013174334e+01, 4.774753557989257e+01, -7.216038219662341e+00
486 , -6.058406503934135e+00, -7.691055949170631e+00, -2.657787808580111e+00, -5.537240897983793e+00, -7.823880193112901e+00
493 , 7.565892447932428e-02, -8.304293090403774e-01, -4.869162430879527e-01, 2.540194534084758e+00, -6.728744036835999e-01
497 , 7.612306165587521e-02, 8.177876329610145e-01, 2.475293734050245e-01, -5.294207211923802e-02, 1.009362167190367e+00
500 , -8.716521053568029e-01, -7.862406482287645e-01, -3.910404481242035e-01, 2.277590655023499e+00, -6.286835154506454e-01
501 , 1.050290594025990e+00, -3.570149357353788e-01, 3.703500125865103e-01, -9.134006685881075e-01, -2.063075690107028e-01
515 , 5.631304798087143e-01, 9.101122652834724e-01, -6.862252833408671e-01, 1.568648179486040e+00, 1.109384129750116e+00
521 , -6.597504702363115e-01, -9.238306504461044e-01, -8.033129148131321e-01, 4.558663169531614e-01, -7.892570672049807e-01
529 , -3.732884688862639e-01, -3.925281369662519e-02, -2.633756841379193e-01, 6.387473580825196e-01, 1.279967087382977e-01
530 , 1.360286877291178e-01, 1.719615783980080e-01, -3.976080700286608e-01, 1.103234093622391e+00, 3.481102648759050e-01
534 , -3.865696377529086e-01, -2.251566810531394e-01, -1.307356967495546e+00, 5.780472633069889e+00, -3.020589883635356e-02
535 , 8.387945811166111e-01, 4.728583428045836e-01, 7.672149514262341e-01, -1.723584074753974e+00, 6.450597776804633e-01
539 , 5.015021224216617e-01, -1.208301580165211e+00, 1.465208148540244e+00, -2.834170875396594e+00, -1.088813441455486e+00
547 , 3.577837477417156e-01, 3.779023681063365e-01, 6.429573392776292e-02, -1.668860697385462e-01, 5.538144813861781e-01
549 , 2.959193985805155e-01, 5.978691382590533e-01, -3.887391347248570e+00, 3.359467824448188e+00, 7.735619375796733e-01
551 , 3.768598030799308e-01, -8.851521736176281e-02, -2.933701632505717e+00, 5.076723085442797e+00, 8.979971676013269e-02
559 , -4.879388683828876e+00, -4.875415417490158e+00, 2.446058934138355e+00, -2.558970804069735e-01, -4.834285743866812e+00
582 , -3.767983081194785e+00, -3.963503012927345e+00, -1.195596344737106e+01, 1.197435367253413e+01, -3.925070910816998e+00
584 , -4.423084887838471e+00, -4.183475735801660e+00, 7.092429488918489e+00, -9.351362912267129e+00, -4.155039706594192e+00
590 , -4.281330196029209e+00, -4.819359818534140e+00, -7.935500861384557e+00, 2.471996459307854e+01, -4.663682464238017e+00
594 , -3.774503176106530e+00, -4.935893538163399e+00, -1.992804311579609e+01, 6.115140573322297e+01, -4.590264149737869e+00
601 , -3.781253889136336e+00, -3.818653588867184e+00, 6.865013982331934e+00, -8.201423267370648e+00, -3.771916193474351e+00
603 , -4.365325989988037e+00, -4.868261507335699e+00, -2.659453671211993e+00, 1.155803670413323e+01, -4.775301338733780e+00
606 , -5.488530687747426e+00, -5.754962609772907e+00, -2.548399018612409e+00, 7.577838261692076e+00, -5.720365661049265e+00
618 , -4.015718244632164e+00, -5.324897099758103e+00, -5.311637748699532e+01, 2.253862957526971e+01, -5.614548877088134e+00
619 , -4.121262893390239e+00, -4.943465581470517e+00, -5.112416733839403e+00, 7.007731852543457e+00, -4.912937509689788e+00
632 , -4.147150997963594e+00, -4.083256064736508e+00, 9.312281066976327e+00, -1.071216129813681e+01, -4.042906578002066e+00
634 , -5.177292236922330e+00, -5.182087295129079e+00, -2.639772210959228e+00, 1.010882514964166e+01, -5.110299171825462e+00
635 , -4.044913990226256e+00, -3.405928023037690e+00, 4.379596255466511e-01, -8.560775446637142e-01, -3.344534407814044e+00
639 , -3.333614694011073e+00, -2.831346410996228e+00, 2.121680087682445e+00, -1.954932997812062e-01, -2.732062925975280e+00
640 , -3.820004612677075e+00, -3.430109193403246e+00, 3.992667326862354e+00, -5.381062010931392e+00, -3.374613329757837e+00
645 , -3.817264784693315e+00, -3.180254316611463e+00, 4.105975111510274e+00, -4.929634107458189e+00, -3.112563627874611e+00
647 , -3.767983081194785e+00, -3.963503012927345e+00, -1.195596344737106e+01, 1.197435367253413e+01, -3.925070910816998e+00
651 , -4.641061297822092e+00, -4.385985533044921e+00, -2.259528021149789e+00, 8.982471397163794e+00, -4.296484417608698e+00
656 , -3.393709386875850e+00, -3.286443063359090e+00, -1.284614061899000e+00, 1.861601909601567e+00, -3.214632746884294e+00
665 , -3.848356661378612e+00, -4.172335418700277e+00, -3.960036965155934e+00, 1.862593206751437e+00, -4.151194743402109e+00
670 , -4.792663238555178e+00, -2.919118195046585e+00, 2.845106633990895e+00, 1.166561424090864e-01, -2.813242548462084e+00
671 , -4.390725865070726e+00, -3.537351993660313e+00, -5.197016264760256e-01, 7.529289954773738e-01, -3.475218401073248e+00
672 , -4.183907435404282e+00, -3.528616097946359e+00, -3.127905054689941e+00, 4.309359315743349e+00, -3.460458024568789e+00
675 , -3.640594388523691e+00, -3.888935161449216e+00, -8.166475217927124e+00, 2.988506985435225e+00, -3.888409748348235e+00
679 , -4.370141999721135e+00, -3.386644323567410e+00, 5.991854130249572e+00, -1.604114985271039e+01, -3.400227664265763e+00
680 , -4.934712781166091e+00, -4.895695078878659e+00, -4.559321288710615e+00, 8.718330277680730e+00, -4.844485696874187e+00
\ No newline at end of file
data/error_estimates_qrf/sisso_exciting_trained_model_predictions.csv 0 → 100644
+ 79
− 0
View file @ 4b2e4ca2
# Sample ID , Property Value , Property Value (EST) , Feature 0 Value , Feature 1 Value , Feature 2 Value
0 , 4.790913645325948e-01, 3.251853755460618e-01, 6.159722225851371e+00, -2.542254584429667e-05, -1.000053318254125e+00
3 , 2.140228089473996e+00, 2.457575354778418e+00, 4.711600271744373e-05, 4.353740408303086e-15, 1.840777483221608e+00
5 , 2.744103266464394e+00, 2.755959620382263e+00, 3.011213778291802e-05, 5.154605612495974e-15, 2.124175127120229e+00
9 , 2.022615368272871e+00, 2.149267294845531e+00, 9.904346115398855e+00, 4.811190850215738e-09, 1.696753902952802e+00
15 , 3.061240631191842e+00, 2.760519738774682e+00, -1.160139294812819e-02, 8.492084089498086e-06, 2.431629303076832e+00
18 , 2.674474605639830e+00, 2.771579335696066e+00, 3.960318893838309e-05, 5.541936427575020e-15, 2.139010483791866e+00
22 , 2.700573247148771e+00, 3.034053619075239e+00, 1.060893850128997e+01, 6.441751879172319e-09, 2.547733414250635e+00
25 , 2.418025008493871e+00, 2.776218475872155e+00, -1.434578988754332e-03, 2.557666239883737e-09, 2.143485848437201e+00
30 , 2.987507793374324e+00, 3.439553110511348e+00, -2.520746225453567e-01, 3.627589974870129e-10, 2.769664867440930e+00
31 , 2.348562669904158e+00, 2.544348763434964e+00, -1.674156185784262e-02, 9.354917996843130e-06, 2.257054794690765e+00
33 , 2.691277530616341e+00, 2.573231595772363e+00, 3.476363653181363e+01, 3.395682428337405e-07, 2.484428949909800e+00
39 , 3.219345970751806e+00, 3.057528457357222e+00, 1.065536214286590e+01, 6.865600335216879e-09, 2.570741017007553e+00
42 , 3.638874417673883e+00, 3.589275842165090e+00, -1.278183327241008e-03, 5.372023648817802e-09, 2.915810225312673e+00
45 , 3.516017290549249e+00, 2.949735172473291e+00, -6.283863893165810e-01, 2.610833500116721e-08, 2.299720490561095e+00
46 , 3.201434042168128e+00, 2.995343487282087e+00, 2.550120484334539e-02, 1.160055985319733e-06, 2.393349944329271e+00
55 , 2.381245861445485e+00, 2.859424200815830e+00, 1.204129857280092e+01, 9.567910498652681e-09, 2.403480986086489e+00
56 , 2.809140157538229e+00, 2.411844080425834e+00, 6.255781759820626e-03, 3.153985562632150e-09, 1.797548879913088e+00
57 , 2.978331559152317e+00, 3.336574951024118e+00, 5.585497341613231e+00, 7.794421936510857e-14, 2.759446769226913e+00
72 , 1.024402708710149e+00, 1.189476679833980e+00, -5.113468351296493e-03, 1.031473186485381e-06, 6.731311052724956e-01
73 , 1.104100572303196e+00, 9.882033678180653e-01, -6.816725687860421e-03, 1.420472675125065e-06, 4.958344444018363e-01
76 , 1.281488061057376e-01, 2.885478452691616e-01, 2.891212219727632e-01, 3.580568404690967e-09, -2.148446550477837e-01
77 , 1.576447574551337e+00, 1.535524286634230e+00, 1.787188340384993e-02, 9.852936871957285e-07, 1.000494062516993e+00
78 , 1.463433626356472e+00, 1.502819016290145e+00, -1.290084327036017e-01, 9.909845454882630e-11, 9.320407158738142e-01
82 , 1.499292171784041e+00, 1.537566273934314e+00, -1.120180612218776e+00, 1.571105656644493e-07, 9.557765832315557e-01
90 , 1.140817910242964e+00, 1.486623689206316e+00, -1.434578988754332e-03, 2.557666239883737e-09, 9.186610326571462e-01
93 , 1.561010479271168e+00, 1.067233833325750e+00, -1.075752062712182e+00, 8.778437319380688e-09, 5.044355966818623e-01
94 , 9.830538993063782e-01, 1.042275892491313e+00, 1.418884795072580e-02, 5.147168472490963e-07, 5.151570177166340e-01
108 , 2.400291043990364e+00, 2.212659791667135e+00, 4.216985319782060e+00, 2.622663701284955e-10, 1.671453239640644e+00
110 , 2.159392122848220e+00, 1.745268564707206e+00, -6.283863893165810e-01, 2.610833500116721e-08, 1.155748286094829e+00
113 , 8.196675033569274e-01, -1.074909122881249e-01, -1.287363705133859e-02, 1.111394295257115e-06, -5.559582593206854e-01
114 , 6.684895059769168e-01, 3.478867461764782e-01, -1.540678290262632e-02, 2.200746292902710e-05, 6.228201303775844e-01
116 , 1.535476268107407e+00, 1.475592441964422e+00, 1.178419801308619e-05, 6.692997910794070e-15, 9.081141874621119e-01
118 , 1.729449419070842e+00, 1.369462406378577e+00, 5.062363257461862e-01, 2.230051575710561e-08, 8.157076162326650e-01
124 , 2.119998313252153e+00, 1.857509105039960e+00, -2.441583871941921e-02, 7.719153453782292e-11, 1.270485250637525e+00
126 , 1.923350790256253e+00, 2.038189661233742e+00, -6.552919858859820e-03, 1.232415298445708e-06, 1.486372543389858e+00
131 , -7.423516197530055e-01, -9.774396919021283e-01, -4.466550619954249e-03, 6.514727177127974e-07, -1.398513906024960e+00
137 , -5.280273891538494e-01, -4.106409864779547e-01, -5.113468351296493e-03, 1.031473186485381e-06, -8.466205610117830e-01
140 , -1.625782029334158e+00, -1.642341766569110e+00, 1.401732134973174e-02, 4.379487485723475e-07, -2.037369940459018e+00
148 , -2.014144824583534e-01, -2.003729742233799e-01, 3.960318893838309e-05, 5.541936427575020e-15, -6.836753537614052e-01
153 , -1.387129643242183e-03, 8.151040308039904e-02, 8.764163658428680e+00, 3.533073019675299e-09, -2.843054629392476e-01
155 , -4.222437510821277e-01, -4.205553809314131e-02, -1.434578988754332e-03, 2.557666239883737e-09, -5.332401942427611e-01
165 , -2.974978783284686e-01, 5.092103149967097e-02, 8.010407718202738e-01, 1.017889625324183e-07, -4.293470341741721e-01
172 , 5.533094660541492e-01, 5.267132670830497e-01, -1.278183327241008e-03, 5.372023648817802e-09, 7.065028274479890e-03
180 , -6.403023256920428e-01, -1.191241387378152e+00, 4.776033723190200e+01, 9.886164319090219e-07, -8.727585223776226e-01
181 , 1.514240137172003e-01, -1.860962680777479e-01, 1.178419801308619e-05, 6.692997910794070e-15, -6.701161134088099e-01
194 , 3.029354157259792e-01, 1.248649756265426e-01, -6.884444202049106e-01, 8.918621460734012e-14, -3.851041608554980e-01
202 , -2.250245288429773e+00, -2.133185507887922e+00, -5.113468351296493e-03, 1.031473186485381e-06, -2.482650186692648e+00
223 , -1.979274161940768e+00, -2.135456732680984e+00, -1.075752062712182e+00, 8.778437319380688e-09, -2.537399655034446e+00
231 , -1.812345383048684e+00, -1.679822497878173e+00, 5.426099506747643e-01, 2.722605828772737e-08, -2.079705027232007e+00
237 , -1.389705937761180e+00, -1.424443432564682e+00, -1.278183327241008e-03, 5.372023648817802e-09, -1.846094716099788e+00
244 , -3.042251898571208e+00, -3.152029037697479e+00, -1.540678290262632e-02, 2.200746292902710e-05, -2.701312185876826e+00
245 , -2.413247068071856e+00, -2.997553286556578e+00, 4.776033723190200e+01, 9.886164319090219e-07, -2.588348304554542e+00
253 , -1.733360110102882e+00, -1.788082706482297e+00, -1.579236948602675e-02, 7.382880846816922e-14, -2.191879853631010e+00
255 , -1.723747672823797e+00, -1.697323226355001e+00, -1.728861447790456e-04, 1.023856402201935e-11, -2.105444018284385e+00
265 , -3.654944418474385e+00, -3.894762906004786e+00, 3.011213778291802e-05, 5.154605612495974e-15, -4.192514485317755e+00
268 , -4.058844380604779e+00, -4.067949238246174e+00, -6.816725687860421e-03, 1.420472675125065e-06, -4.306372611885831e+00
271 , -4.529665364904297e+00, -4.398359394787955e+00, 2.891212219727632e-01, 3.580568404690967e-09, -4.666351714659283e+00
272 , -3.903941566792888e+00, -3.996390940869508e+00, 1.787188340384993e-02, 9.852936871957285e-07, -4.253580410718186e+00
278 , -3.997936397508011e+00, -3.930972882374061e+00, 3.960318893838309e-05, 5.541936427575020e-15, -4.226905671141526e+00
281 , -4.353194317331392e+00, -3.739755511605830e+00, -6.910418621920250e-01, 2.959897035864161e-08, -4.054605710436758e+00
301 , -3.468845811916251e+00, -3.573300187002798e+00, 5.235020095656413e+00, 6.173981533149816e-10, -3.808616853706818e+00
311 , -3.479691857153886e+00, -4.103222942390730e+00, 1.178419801308619e-05, 6.692997910794070e-15, -4.390504879601728e+00
318 , -3.645514512977518e+00, -3.789225975257662e+00, -1.579236948602675e-02, 7.382880846816922e-14, -4.092515588879530e+00
320 , -3.694326824941404e+00, -3.813325403048188e+00, -1.728861447790456e-04, 1.023856402201935e-11, -4.115169866323193e+00
326 , -6.064490558329321e+00, -6.709215880171516e+00, -4.466550619954249e-03, 6.514727177127974e-07, -6.842411312000361e+00
327 , -6.546192465195719e+00, -6.453185984447367e+00, -1.698095604194869e-01, 2.566181850528309e-10, -6.624980137138450e+00
338 , -6.080864482746918e+00, -6.047828901441580e+00, -1.290084327036017e-01, 9.909845454882630e-11, -6.239375484378108e+00
347 , -6.622659850273076e+00, -6.039111724943338e+00, 1.060893850128997e+01, 6.441751879172319e-09, -6.069731688691937e+00
351 , -5.628580489333175e+00, -6.053091031412639e+00, 2.923219237675688e+00, 7.636750567532248e-11, -6.198571190937395e+00
367 , -5.758823461431857e+00, -5.875853203896884e+00, -1.278183327241008e-03, 5.372023648817802e-09, -6.073932180633740e+00
368 , -5.340538810219496e+00, -5.808322415510811e+00, 4.216985319782060e+00, 2.622663701284955e-10, -5.946674683846001e+00
369 , -6.136117687576347e+00, -6.176444515398613e+00, 1.787188340384993e-02, 9.852936871957285e-07, -6.324140671524485e+00
370 , -5.993761361120668e+00, -6.094458455007247e+00, -6.283863893165810e-01, 2.610833500116721e-08, -6.290228001940394e+00
375 , -6.585702285475925e+00, -6.910581402574903e+00, 4.776033723190200e+01, 9.886164319090219e-07, -6.304844362774286e+00
377 , -6.120207197013927e+00, -6.424033771774463e+00, 6.469052532076971e-01, 4.776039086894182e-08, -6.583339534900150e+00
378 , -6.177693397647809e+00, -6.310817842405502e+00, 5.062363257461862e-01, 2.230051575710561e-08, -6.478830123934014e+00
379 , -6.239383987975009e+00, -5.954511175644571e+00, 2.770831977849188e-01, 2.922683206091387e-09, -6.144549828542710e+00
381 , -6.939529079579261e+00, -6.212802846563187e+00, 6.255781759820626e-03, 3.153985562632150e-09, -6.393924668789014e+00
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