diff --git a/data/compressed_sensing/RS_structures.xyz b/data/compressed_sensing/RS_structures.xyz deleted file mode 100644 index 64dee5a7a8b6ff088622ac5a146bf8a8ec778ff6..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/RS_structures.xyz +++ /dev/null @@ -1,328 +0,0 @@ -2 -Lattice="0.0 2.7925 2.7925 2.7925 0.0 2.7925 2.7925 2.7925 0.0" Properties=species:S:1:pos:R:3 energy=-108781.33395857112 Z=47.0 period=5.0 IP=-8.0580997467 EA=-1.6665999889399998 E_HOMO=-4.71000003815 E_LUMO=-0.47900000214599997 r_s=1.32000005245 r_p=1.87999999523 r_d=2.97000002861 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -Br 2.79250000 2.79250000 2.79250000 -2 -Lattice="0.0 2.6775 2.6775 2.6775 0.0 2.6775 2.6775 2.6775 0.0" Properties=species:S:1:pos:R:3 energy=-79397.45108274152 Z=47.0 period=5.0 IP=-8.0580997467 EA=-1.6665999889399998 E_HOMO=-4.71000003815 E_LUMO=-0.47900000214599997 r_s=1.32000005245 r_p=1.87999999523 r_d=2.97000002861 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -Cl 2.67750000 2.67750000 2.67750000 -2 -Lattice="0.0 2.3955 2.3955 2.3955 0.0 2.3955 2.3955 2.3955 0.0" Properties=species:S:1:pos:R:3 energy=-74477.4281651636 Z=47.0 period=5.0 IP=-8.0580997467 EA=-1.6665999889399998 E_HOMO=-4.71000003815 E_LUMO=-0.47900000214599997 r_s=1.32000005245 r_p=1.87999999523 r_d=2.97000002861 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -F 2.39550000 2.39550000 2.39550000 -2 -Lattice="0.0 2.9485 2.9485 2.9485 0.0 2.9485 2.9485 2.9485 0.0" Properties=species:S:1:pos:R:3 energy=-171339.20818144767 Z=47.0 period=5.0 IP=-8.0580997467 EA=-1.6665999889399998 E_HOMO=-4.71000003815 E_LUMO=-0.47900000214599997 r_s=1.32000005245 r_p=1.87999999523 r_d=2.97000002861 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -I 2.94850000 2.94850000 2.94850000 -2 -Lattice="0.0 2.6060000000000003 2.6060000000000003 2.6060000000000003 0.0 2.6060000000000003 2.6060000000000003 2.6060000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-34200.07751274624 Z=13.0 period=3.0 IP=-5.78049993515 EA=-0.3125 E_HOMO=-2.7839999198900003 E_LUMO=0.6949999928470001 r_s=1.09000003338 r_p=1.38999998569 r_d=1.94000005722 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -As 2.60600000 2.60600000 2.60600000 -2 -Lattice="0.0 2.0045 2.0045 2.0045 0.0 2.0045 2.0045 2.0045 0.0" Properties=species:S:1:pos:R:3 energy=-4036.4290485037673 Z=13.0 period=3.0 IP=-5.78049993515 EA=-0.3125 E_HOMO=-2.7839999198900003 E_LUMO=0.6949999928470001 r_s=1.09000003338 r_p=1.38999998569 r_d=1.94000005722 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -N 2.00450000 2.00450000 2.00450000 -2 -Lattice="0.0 2.4990000000000006 2.4990000000000006 2.4990000000000006 0.0 2.4990000000000006 2.4990000000000006 2.4990000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-7940.862745223371 Z=13.0 period=3.0 IP=-5.78049993515 EA=-0.3125 E_HOMO=-2.7839999198900003 E_LUMO=0.6949999928470001 r_s=1.09000003338 r_p=1.38999998569 r_d=1.94000005722 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -P 2.49900000 2.49900000 2.49900000 -2 -Lattice="0.0 2.824 2.824 2.824 0.0 2.824 2.824 2.824 0.0" Properties=species:S:1:pos:R:3 energy=-92644.19200438487 Z=13.0 period=3.0 IP=-5.78049993515 EA=-0.3125 E_HOMO=-2.7839999198900003 E_LUMO=0.6949999928470001 r_s=1.09000003338 r_p=1.38999998569 r_d=1.94000005722 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -Sb 2.82400000 2.82400000 2.82400000 -2 -Lattice="0.0 2.627 2.627 2.627 0.0 2.627 2.627 2.627 0.0" Properties=species:S:1:pos:R:3 energy=-57457.67995787478 Z=31.0 period=4.0 IP=-5.81820011139 EA=-0.10809999704399999 E_HOMO=-2.73200011253 E_LUMO=0.129999995232 r_s=0.9900000095370001 r_p=1.33000004292 r_d=2.16000008583 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -As 2.62700000 2.62700000 2.62700000 -2 -Lattice="0.0 2.2695 2.2695 2.2695 0.0 2.2695 2.2695 2.2695 0.0" Properties=species:S:1:pos:R:3 energy=-31239.347344138314 Z=5.0 period=2.0 IP=-8.18999958038 EA=-0.107400000095 E_HOMO=-3.71499991417 E_LUMO=2.24799990654 r_s=0.8100000023839999 r_p=0.829999983311 r_d=1.9500000476800001 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -As 2.26950000 2.26950000 2.26950000 -2 -Lattice="0.0 1.7310000000000003 1.7310000000000003 1.7310000000000003 0.0 1.7310000000000003 1.7310000000000003 1.7310000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-1075.0334152931262 Z=5.0 period=2.0 IP=-8.18999958038 EA=-0.107400000095 E_HOMO=-3.71499991417 E_LUMO=2.24799990654 r_s=0.8100000023839999 r_p=0.829999983311 r_d=1.9500000476800001 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -N 1.73100000 1.73100000 1.73100000 -2 -Lattice="0.0 2.13 2.13 2.13 0.0 2.13 2.13 2.13 0.0" Properties=species:S:1:pos:R:3 energy=-4980.2724198777205 Z=5.0 period=2.0 IP=-8.18999958038 EA=-0.107400000095 E_HOMO=-3.71499991417 E_LUMO=2.24799990654 r_s=0.8100000023839999 r_p=0.829999983311 r_d=1.9500000476800001 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -P 2.13000000 2.13000000 2.13000000 -2 -Lattice="0.0 2.4655 2.4655 2.4655 0.0 2.4655 2.4655 2.4655 0.0" Properties=species:S:1:pos:R:3 energy=-89683.61370141403 Z=5.0 period=2.0 IP=-8.18999958038 EA=-0.107400000095 E_HOMO=-3.71499991417 E_LUMO=2.24799990654 r_s=0.8100000023839999 r_p=0.829999983311 r_d=1.9500000476800001 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -Sb 2.46550000 2.46550000 2.46550000 -2 -Lattice="0.0 2.718 2.718 2.718 0.0 2.718 2.718 2.718 0.0" Properties=species:S:1:pos:R:3 energy=-113504.82696334521 Z=56.0 period=6.0 IP=-5.515699863430001 EA=0.277999997139 E_HOMO=-3.3459999561299996 E_LUMO=-2.1289999484999997 r_s=2.15000009537 r_p=2.63000011444 r_d=1.35000002384 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -O 2.71800000 2.71800000 2.71800000 -2 -Lattice="0.0 3.1355000000000004 3.1355000000000004 3.1355000000000004 0.0 3.1355000000000004 3.1355000000000004 3.1355000000000004 0.0" Properties=species:S:1:pos:R:3 energy=-117910.27093993322 Z=56.0 period=6.0 IP=-5.515699863430001 EA=0.277999997139 E_HOMO=-3.3459999561299996 E_LUMO=-2.1289999484999997 r_s=2.15000009537 r_p=2.63000011444 r_d=1.35000002384 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -S 3.13550000 3.13550000 3.13550000 -2 -Lattice="0.0 3.2375 3.2375 3.2375 0.0 3.2375 3.2375 3.2375 0.0" Properties=species:S:1:pos:R:3 energy=-145716.76967211007 Z=56.0 period=6.0 IP=-5.515699863430001 EA=0.277999997139 E_HOMO=-3.3459999561299996 E_LUMO=-2.1289999484999997 r_s=2.15000009537 r_p=2.63000011444 r_d=1.35000002384 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -Se 3.23750000 3.23750000 3.23750000 -2 -Lattice="0.0 3.4310000000000005 3.4310000000000005 3.4310000000000005 0.0 3.4310000000000005 3.4310000000000005 3.4310000000000005 0.0" Properties=species:S:1:pos:R:3 energy=-206204.2290453692 Z=56.0 period=6.0 IP=-5.515699863430001 EA=0.277999997139 E_HOMO=-3.3459999561299996 E_LUMO=-2.1289999484999997 r_s=2.15000009537 r_p=2.63000011444 r_d=1.35000002384 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -Te 3.43100000 3.43100000 3.43100000 -2 -Lattice="0.0 1.792 1.792 1.792 0.0 1.792 1.792 1.792 0.0" Properties=species:S:1:pos:R:3 energy=-1218.439958463514 Z=4.0 period=2.0 IP=-9.459400177000001 EA=0.630500018597 E_HOMO=-5.599999904630001 E_LUMO=-2.0980000495900004 r_s=1.08000004292 r_p=1.21000003815 r_d=2.88000011444 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -O 1.79200000 1.79200000 1.79200000 -2 -Lattice="0.0 2.2785 2.2785 2.2785 0.0 2.2785 2.2785 2.2785 0.0" Properties=species:S:1:pos:R:3 energy=-5622.515539493347 Z=4.0 period=2.0 IP=-9.459400177000001 EA=0.630500018597 E_HOMO=-5.599999904630001 E_LUMO=-2.0980000495900004 r_s=1.08000004292 r_p=1.21000003815 r_d=2.88000011444 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -S 2.27850000 2.27850000 2.27850000 -2 -Lattice="0.0 2.417 2.417 2.417 0.0 2.417 2.417 2.417 0.0" Properties=species:S:1:pos:R:3 energy=-33428.79676209965 Z=4.0 period=2.0 IP=-9.459400177000001 EA=0.630500018597 E_HOMO=-5.599999904630001 E_LUMO=-2.0980000495900004 r_s=1.08000004292 r_p=1.21000003815 r_d=2.88000011444 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -Se 2.41700000 2.41700000 2.41700000 -2 -Lattice="0.0 2.6335 2.6335 2.6335 0.0 2.6335 2.6335 2.6335 0.0" Properties=species:S:1:pos:R:3 energy=-93916.10418609559 Z=4.0 period=2.0 IP=-9.459400177000001 EA=0.630500018597 E_HOMO=-5.599999904630001 E_LUMO=-2.0980000495900004 r_s=1.08000004292 r_p=1.21000003815 r_d=2.88000011444 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -Te 2.63350000 2.63350000 2.63350000 -2 -Lattice="0.0 1.748 1.748 1.748 0.0 1.748 1.748 1.748 0.0" Properties=species:S:1:pos:R:3 energy=-1026.5488202746917 Z=6.0 period=2.0 IP=-10.851699829100001 EA=-0.87239998579 E_HOMO=-5.415999889369999 E_LUMO=1.99199998379 r_s=0.6399999856949999 r_p=0.629999995232 r_d=1.62999999523 pbc="T T T" -C 0.00000000 0.00000000 0.00000000 -C 1.74800000 1.74800000 1.74800000 -2 -Lattice="0.0 2.355 2.355 2.355 0.0 2.355 2.355 2.355 0.0" Properties=species:S:1:pos:R:3 energy=-10276.90108522353 Z=20.0 period=4.0 IP=-6.4279999733 EA=0.303900003433 E_HOMO=-3.8640000820199996 E_LUMO=-2.132999897 r_s=1.7599999904599997 r_p=2.31999993324 r_d=0.6800000071529999 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -O 2.35500000 2.35500000 2.35500000 -2 -Lattice="0.0 2.7825000000000006 2.7825000000000006 2.7825000000000006 0.0 2.7825000000000006 2.7825000000000006 2.7825000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-14681.946741034999 Z=20.0 period=4.0 IP=-6.4279999733 EA=0.303900003433 E_HOMO=-3.8640000820199996 E_LUMO=-2.132999897 r_s=1.7599999904599997 r_p=2.31999993324 r_d=0.6800000071529999 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -S 2.78250000 2.78250000 2.78250000 -2 -Lattice="0.0 2.8965 2.8965 2.8965 0.0 2.8965 2.8965 2.8965 0.0" Properties=species:S:1:pos:R:3 energy=-42488.3529202005 Z=20.0 period=4.0 IP=-6.4279999733 EA=0.303900003433 E_HOMO=-3.8640000820199996 E_LUMO=-2.132999897 r_s=1.7599999904599997 r_p=2.31999993324 r_d=0.6800000071529999 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -Se 2.89650000 2.89650000 2.89650000 -2 -Lattice="0.0 3.1045 3.1045 3.1045 0.0 3.1045 3.1045 3.1045 0.0" Properties=species:S:1:pos:R:3 energy=-102975.69611891978 Z=20.0 period=4.0 IP=-6.4279999733 EA=0.303900003433 E_HOMO=-3.8640000820199996 E_LUMO=-2.132999897 r_s=1.7599999904599997 r_p=2.31999993324 r_d=0.6800000071529999 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -Te 3.10450000 3.10450000 3.10450000 -2 -Lattice="0.0 2.318 2.318 2.318 0.0 2.318 2.318 2.318 0.0" Properties=species:S:1:pos:R:3 energy=-78015.16830946339 Z=48.0 period=5.0 IP=-9.5813999176 EA=0.838699996471 E_HOMO=-5.952000141139999 E_LUMO=-1.30900001526 r_s=1.23000001907 r_p=1.7400000095400003 r_d=2.59999990463 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -O 2.31800000 2.31800000 2.31800000 -2 -Lattice="0.0 2.6685000000000003 2.6685000000000003 2.6685000000000003 0.0 2.6685000000000003 2.6685000000000003 2.6685000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-82420.56336174316 Z=48.0 period=5.0 IP=-9.5813999176 EA=0.838699996471 E_HOMO=-5.952000141139999 E_LUMO=-1.30900001526 r_s=1.23000001907 r_p=1.7400000095400003 r_d=2.59999990463 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -S 2.66850000 2.66850000 2.66850000 -2 -Lattice="0.0 2.7815000000000003 2.7815000000000003 2.7815000000000003 0.0 2.7815000000000003 2.7815000000000003 2.7815000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-110227.06126082806 Z=48.0 period=5.0 IP=-9.5813999176 EA=0.838699996471 E_HOMO=-5.952000141139999 E_LUMO=-1.30900001526 r_s=1.23000001907 r_p=1.7400000095400003 r_d=2.59999990463 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -Se 2.78150000 2.78150000 2.78150000 -2 -Lattice="0.0 2.9655000000000005 2.9655000000000005 2.9655000000000005 0.0 2.9655000000000005 2.9655000000000005 2.9655000000000005 0.0" Properties=species:S:1:pos:R:3 energy=-170714.5893124294 Z=48.0 period=5.0 IP=-9.5813999176 EA=0.838699996471 E_HOMO=-5.952000141139999 E_LUMO=-1.30900001526 r_s=1.23000001907 r_p=1.7400000095400003 r_d=2.59999990463 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -Te 2.96550000 2.96550000 2.96550000 -2 -Lattice="0.0 3.5105 3.5105 3.5105 0.0 3.5105 3.5105 3.5105 0.0" Properties=species:S:1:pos:R:3 energy=-143254.4343374349 Z=55.0 period=6.0 IP=-4.0061998367300005 EA=-0.569599986076 E_HOMO=-2.22000002861 E_LUMO=-0.547999978065 r_s=2.46000003815 r_p=3.16000008583 r_d=1.9700000286099997 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -Br 3.51050000 3.51050000 3.51050000 -2 -Lattice="0.0 3.365 3.365 3.365 0.0 3.365 3.365 3.365 0.0" Properties=species:S:1:pos:R:3 energy=-113870.6262104306 Z=55.0 period=6.0 IP=-4.0061998367300005 EA=-0.569599986076 E_HOMO=-2.22000002861 E_LUMO=-0.547999978065 r_s=2.46000003815 r_p=3.16000008583 r_d=1.9700000286099997 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -Cl 3.36500000 3.36500000 3.36500000 -2 -Lattice="0.0 2.9025 2.9025 2.9025 0.0 2.9025 2.9025 2.9025 0.0" Properties=species:S:1:pos:R:3 energy=-108950.88884883074 Z=55.0 period=6.0 IP=-4.0061998367300005 EA=-0.569599986076 E_HOMO=-2.22000002861 E_LUMO=-0.547999978065 r_s=2.46000003815 r_p=3.16000008583 r_d=1.9700000286099997 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -F 2.90250000 2.90250000 2.90250000 -2 -Lattice="0.0 3.7270000000000003 3.7270000000000003 3.7270000000000003 0.0 3.7270000000000003 3.7270000000000003 3.7270000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-205812.1828572401 Z=55.0 period=6.0 IP=-4.0061998367300005 EA=-0.569599986076 E_HOMO=-2.22000002861 E_LUMO=-0.547999978065 r_s=2.46000003815 r_p=3.16000008583 r_d=1.9700000286099997 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -I 3.72700000 3.72700000 3.72700000 -2 -Lattice="0.0 2.5930000000000004 2.5930000000000004 2.5930000000000004 0.0 2.5930000000000004 2.5930000000000004 2.5930000000000004 0.0" Properties=species:S:1:pos:R:3 energy=-58243.772836020624 Z=29.0 period=4.0 IP=-8.38879966736 EA=-1.6384999752 E_HOMO=-4.855999946590001 E_LUMO=-0.64099997282 r_s=1.20000004768 r_p=1.67999994755 r_d=2.57999992371 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -Br 2.59300000 2.59300000 2.59300000 -2 -Lattice="0.0 2.4645 2.4645 2.4645 0.0 2.4645 2.4645 2.4645 0.0" Properties=species:S:1:pos:R:3 energy=-28859.946960543413 Z=29.0 period=4.0 IP=-8.38879966736 EA=-1.6384999752 E_HOMO=-4.855999946590001 E_LUMO=-0.64099997282 r_s=1.20000004768 r_p=1.67999994755 r_d=2.57999992371 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -Cl 2.46450000 2.46450000 2.46450000 -2 -Lattice="0.0 2.1985 2.1985 2.1985 0.0 2.1985 2.1985 2.1985 0.0" Properties=species:S:1:pos:R:3 energy=-23939.960840976764 Z=29.0 period=4.0 IP=-8.38879966736 EA=-1.6384999752 E_HOMO=-4.855999946590001 E_LUMO=-0.64099997282 r_s=1.20000004768 r_p=1.67999994755 r_d=2.57999992371 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -F 2.19850000 2.19850000 2.19850000 -2 -Lattice="0.0 2.7605 2.7605 2.7605 0.0 2.7605 2.7605 2.7605 0.0" Properties=species:S:1:pos:R:3 energy=-120801.61870824985 Z=29.0 period=4.0 IP=-8.38879966736 EA=-1.6384999752 E_HOMO=-4.855999946590001 E_LUMO=-0.64099997282 r_s=1.20000004768 r_p=1.67999994755 r_d=2.57999992371 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -I 2.76050000 2.76050000 2.76050000 -2 -Lattice="0.0 2.091 2.091 2.091 0.0 2.091 2.091 2.091 0.0" Properties=species:S:1:pos:R:3 energy=-27292.963945678744 Z=31.0 period=4.0 IP=-5.81820011139 EA=-0.10809999704399999 E_HOMO=-2.73200011253 E_LUMO=0.129999995232 r_s=0.9900000095370001 r_p=1.33000004292 r_d=2.16000008583 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -N 2.09100000 2.09100000 2.09100000 -2 -Lattice="0.0 2.5245000000000006 2.5245000000000006 2.5245000000000006 0.0 2.5245000000000006 2.5245000000000006 2.5245000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-31198.35551591384 Z=31.0 period=4.0 IP=-5.81820011139 EA=-0.10809999704399999 E_HOMO=-2.73200011253 E_LUMO=0.129999995232 r_s=0.9900000095370001 r_p=1.33000004292 r_d=2.16000008583 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -P 2.52450000 2.52450000 2.52450000 -2 -Lattice="0.0 2.8225 2.8225 2.8225 0.0 2.8225 2.8225 2.8225 0.0" Properties=species:S:1:pos:R:3 energy=-115901.98274863836 Z=31.0 period=4.0 IP=-5.81820011139 EA=-0.10809999704399999 E_HOMO=-2.73200011253 E_LUMO=0.129999995232 r_s=0.9900000095370001 r_p=1.33000004292 r_d=2.16000008583 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -Sb 2.82250000 2.82250000 2.82250000 -2 -Lattice="0.0 2.6455 2.6455 2.6455 0.0 2.6455 2.6455 2.6455 0.0" Properties=species:S:1:pos:R:3 energy=-57359.56120416938 Z=32.0 period=4.0 IP=-7.566999912260001 EA=-0.9490000009540001 E_HOMO=-4.04600000381 E_LUMO=2.17499995232 r_s=0.920000016689 r_p=1.15999996662 r_d=2.36999988556 pbc="T T T" -Ge 0.00000000 0.00000000 0.00000000 -Ge 2.64550000 2.64550000 2.64550000 -2 -Lattice="0.0 2.156 2.156 2.156 0.0 2.156 2.156 2.156 0.0" Properties=species:S:1:pos:R:3 energy=-29193.278475127725 Z=32.0 period=4.0 IP=-7.566999912260001 EA=-0.9490000009540001 E_HOMO=-4.04600000381 E_LUMO=2.17499995232 r_s=0.920000016689 r_p=1.15999996662 r_d=2.36999988556 pbc="T T T" -Ge 0.00000000 0.00000000 0.00000000 -C 2.15600000 2.15600000 2.15600000 -2 -Lattice="0.0 2.57 2.57 2.57 0.0 2.57 2.57 2.57 0.0" Properties=species:S:1:pos:R:3 energy=-32616.69403888785 Z=32.0 period=4.0 IP=-7.566999912260001 EA=-0.9490000009540001 E_HOMO=-4.04600000381 E_LUMO=2.17499995232 r_s=0.920000016689 r_p=1.15999996662 r_d=2.36999988556 pbc="T T T" -Ge 0.00000000 0.00000000 0.00000000 -Si 2.57000000 2.57000000 2.57000000 -2 -Lattice="0.0 2.798 2.798 2.798 0.0 2.798 2.798 2.798 0.0" Properties=species:S:1:pos:R:3 energy=-111895.78725476544 Z=49.0 period=5.0 IP=-5.53739976883 EA=-0.256300002337 E_HOMO=-2.6970000267 E_LUMO=0.36800000071500005 r_s=1.12999999523 r_p=1.5 r_d=3.1099998951 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -As 2.79800000 2.79800000 2.79800000 -2 -Lattice="0.0 2.302 2.302 2.302 0.0 2.302 2.302 2.302 0.0" Properties=species:S:1:pos:R:3 energy=-81730.71478475723 Z=49.0 period=5.0 IP=-5.53739976883 EA=-0.256300002337 E_HOMO=-2.6970000267 E_LUMO=0.36800000071500005 r_s=1.12999999523 r_p=1.5 r_d=3.1099998951 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -N 2.30200000 2.30200000 2.30200000 -2 -Lattice="0.0 2.7075 2.7075 2.7075 0.0 2.7075 2.7075 2.7075 0.0" Properties=species:S:1:pos:R:3 energy=-85636.41199652261 Z=49.0 period=5.0 IP=-5.53739976883 EA=-0.256300002337 E_HOMO=-2.6970000267 E_LUMO=0.36800000071500005 r_s=1.12999999523 r_p=1.5 r_d=3.1099998951 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -P 2.70750000 2.70750000 2.70750000 -2 -Lattice="0.0 2.988 2.988 2.988 0.0 2.988 2.988 2.988 0.0" Properties=species:S:1:pos:R:3 energy=-170340.10360629848 Z=49.0 period=5.0 IP=-5.53739976883 EA=-0.256300002337 E_HOMO=-2.6970000267 E_LUMO=0.36800000071500005 r_s=1.12999999523 r_p=1.5 r_d=3.1099998951 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -Sb 2.98800000 2.98800000 2.98800000 -2 -Lattice="0.0 3.186 3.186 3.186 0.0 3.186 3.186 3.186 0.0" Properties=species:S:1:pos:R:3 energy=-43846.22818606151 Z=19.0 period=4.0 IP=-4.43319988251 EA=-0.621299982071 E_HOMO=-2.4260001182599997 E_LUMO=-0.6970000267030001 r_s=2.13000011444 r_p=2.4400000572200002 r_d=1.78999996185 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -Br 3.18600000 3.18600000 3.18600000 -2 -Lattice="0.0 3.039 3.039 3.039 0.0 3.039 3.039 3.039 0.0" Properties=species:S:1:pos:R:3 energy=-14462.44447168486 Z=19.0 period=4.0 IP=-4.43319988251 EA=-0.621299982071 E_HOMO=-2.4260001182599997 E_LUMO=-0.6970000267030001 r_s=2.13000011444 r_p=2.4400000572200002 r_d=1.78999996185 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -Cl 3.03900000 3.03900000 3.03900000 -2 -Lattice="0.0 2.5815 2.5815 2.5815 0.0 2.5815 2.5815 2.5815 0.0" Properties=species:S:1:pos:R:3 energy=-9542.777877059552 Z=19.0 period=4.0 IP=-4.43319988251 EA=-0.621299982071 E_HOMO=-2.4260001182599997 E_LUMO=-0.6970000267030001 r_s=2.13000011444 r_p=2.4400000572200002 r_d=1.78999996185 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -F 2.58150000 2.58150000 2.58150000 -2 -Lattice="0.0 3.408 3.408 3.408 0.0 3.408 3.408 3.408 0.0" Properties=species:S:1:pos:R:3 energy=-106403.94989684867 Z=19.0 period=4.0 IP=-4.43319988251 EA=-0.621299982071 E_HOMO=-2.4260001182599997 E_LUMO=-0.6970000267030001 r_s=2.13000011444 r_p=2.4400000572200002 r_d=1.78999996185 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -I 3.40800000 3.40800000 3.40800000 -2 -Lattice="0.0 2.6555000000000004 2.6555000000000004 2.6555000000000004 0.0 2.6555000000000004 2.6555000000000004 2.6555000000000004 0.0" Properties=species:S:1:pos:R:3 energy=-35758.254036685415 Z=3.0 period=2.0 IP=-5.32910013199 EA=-0.698099970818 E_HOMO=-2.8740000724799994 E_LUMO=-0.9779999852179999 r_s=1.64999997616 r_p=2.0 r_d=6.92999982834 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -Br 2.65550000 2.65550000 2.65550000 -2 -Lattice="0.0 2.483 2.483 2.483 0.0 2.483 2.483 2.483 0.0" Properties=species:S:1:pos:R:3 energy=-6374.542821311546 Z=3.0 period=2.0 IP=-5.32910013199 EA=-0.698099970818 E_HOMO=-2.8740000724799994 E_LUMO=-0.9779999852179999 r_s=1.64999997616 r_p=2.0 r_d=6.92999982834 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -Cl 2.48300000 2.48300000 2.48300000 -2 -Lattice="0.0 1.9555 1.9555 1.9555 0.0 1.9555 1.9555 1.9555 0.0" Properties=species:S:1:pos:R:3 energy=-1455.2422308540065 Z=3.0 period=2.0 IP=-5.32910013199 EA=-0.698099970818 E_HOMO=-2.8740000724799994 E_LUMO=-0.9779999852179999 r_s=1.64999997616 r_p=2.0 r_d=6.92999982834 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -F 1.95550000 1.95550000 1.95550000 -2 -Lattice="0.0 2.9025 2.9025 2.9025 0.0 2.9025 2.9025 2.9025 0.0" Properties=species:S:1:pos:R:3 energy=-98315.90504246672 Z=3.0 period=2.0 IP=-5.32910013199 EA=-0.698099970818 E_HOMO=-2.8740000724799994 E_LUMO=-0.9779999852179999 r_s=1.64999997616 r_p=2.0 r_d=6.92999982834 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -I 2.90250000 2.90250000 2.90250000 -2 -Lattice="0.0 2.03987 2.03987 2.03987 0.0 2.03987 2.03987 2.03987 0.0" Properties=species:S:1:pos:R:3 energy=-3737.0747449401097 Z=12.0 period=3.0 IP=-8.037099838260001 EA=0.692499995232 E_HOMO=-4.78200006485 E_LUMO=-1.3580000400499999 r_s=1.33000004292 r_p=1.89999997616 r_d=3.17000007629 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -O 2.03987000 2.03987000 2.03987000 -2 -Lattice="0.0 2.566 2.566 2.566 0.0 2.566 2.566 2.566 0.0" Properties=species:S:1:pos:R:3 energy=-8141.593383043353 Z=12.0 period=3.0 IP=-8.037099838260001 EA=0.692499995232 E_HOMO=-4.78200006485 E_LUMO=-1.3580000400499999 r_s=1.33000004292 r_p=1.89999997616 r_d=3.17000007629 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -S 2.56600000 2.56600000 2.56600000 -2 -Lattice="0.0 2.6975 2.6975 2.6975 0.0 2.6975 2.6975 2.6975 0.0" Properties=species:S:1:pos:R:3 energy=-35947.940030845435 Z=12.0 period=3.0 IP=-8.037099838260001 EA=0.692499995232 E_HOMO=-4.78200006485 E_LUMO=-1.3580000400499999 r_s=1.33000004292 r_p=1.89999997616 r_d=3.17000007629 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -Se 2.69750000 2.69750000 2.69750000 -2 -Lattice="0.0 2.9215 2.9215 2.9215 0.0 2.9215 2.9215 2.9215 0.0" Properties=species:S:1:pos:R:3 energy=-96435.2383537187 Z=12.0 period=3.0 IP=-8.037099838260001 EA=0.692499995232 E_HOMO=-4.78200006485 E_LUMO=-1.3580000400499999 r_s=1.33000004292 r_p=1.89999997616 r_d=3.17000007629 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -Te 2.92150000 2.92150000 2.92150000 -2 -Lattice="0.0 2.893 2.893 2.893 0.0 2.893 2.893 2.893 0.0" Properties=species:S:1:pos:R:3 energy=-37859.126083455434 Z=11.0 period=3.0 IP=-5.223100185390001 EA=-0.715699970722 E_HOMO=-2.8190000057200004 E_LUMO=-0.717999994755 r_s=1.71000003815 r_p=2.59999990463 r_d=6.57000017166 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -Br 2.89300000 2.89300000 2.89300000 -2 -Lattice="0.0 2.7325 2.7325 2.7325 0.0 2.7325 2.7325 2.7325 0.0" Properties=species:S:1:pos:R:3 energy=-8475.37343440655 Z=11.0 period=3.0 IP=-5.223100185390001 EA=-0.715699970722 E_HOMO=-2.8190000057200004 E_LUMO=-0.717999994755 r_s=1.71000003815 r_p=2.59999990463 r_d=6.57000017166 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -Cl 2.73250000 2.73250000 2.73250000 -2 -Lattice="0.0 2.252 2.252 2.252 0.0 2.252 2.252 2.252 0.0" Properties=species:S:1:pos:R:3 energy=-3555.8434060251107 Z=11.0 period=3.0 IP=-5.223100185390001 EA=-0.715699970722 E_HOMO=-2.8190000057200004 E_LUMO=-0.717999994755 r_s=1.71000003815 r_p=2.59999990463 r_d=6.57000017166 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -F 2.25200000 2.25200000 2.25200000 -2 -Lattice="0.0 3.13 3.13 3.13 0.0 3.13 3.13 3.13 0.0" Properties=species:S:1:pos:R:3 energy=-100416.81623126328 Z=11.0 period=3.0 IP=-5.223100185390001 EA=-0.715699970722 E_HOMO=-2.8190000057200004 E_LUMO=-0.717999994755 r_s=1.71000003815 r_p=2.59999990463 r_d=6.57000017166 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -I 3.13000000 3.13000000 3.13000000 -2 -Lattice="0.0 3.3335 3.3335 3.3335 0.0 3.3335 3.3335 3.3335 0.0" Properties=species:S:1:pos:R:3 energy=-76473.68939266614 Z=37.0 period=5.0 IP=-4.28889989853 EA=-0.590399980545 E_HOMO=-2.3599998951 E_LUMO=-0.704999983311 r_s=2.24000000954 r_p=3.20000004768 r_d=1.96000003815 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -Br 3.33350000 3.33350000 3.33350000 -2 -Lattice="0.0 3.189 3.189 3.189 0.0 3.189 3.189 3.189 0.0" Properties=species:S:1:pos:R:3 energy=-47089.89292301863 Z=37.0 period=5.0 IP=-4.28889989853 EA=-0.590399980545 E_HOMO=-2.3599998951 E_LUMO=-0.704999983311 r_s=2.24000000954 r_p=3.20000004768 r_d=1.96000003815 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -Cl 3.18900000 3.18900000 3.18900000 -2 -Lattice="0.0 2.7320000000000007 2.7320000000000007 2.7320000000000007 0.0 2.7320000000000007 2.7320000000000007 2.7320000000000007 0.0" Properties=species:S:1:pos:R:3 energy=-42170.18365900315 Z=37.0 period=5.0 IP=-4.28889989853 EA=-0.590399980545 E_HOMO=-2.3599998951 E_LUMO=-0.704999983311 r_s=2.24000000954 r_p=3.20000004768 r_d=1.96000003815 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -F 2.73200000 2.73200000 2.73200000 -2 -Lattice="0.0 3.552 3.552 3.552 0.0 3.552 3.552 3.552 0.0" Properties=species:S:1:pos:R:3 energy=-139031.4254132218 Z=37.0 period=5.0 IP=-4.28889989853 EA=-0.590399980545 E_HOMO=-2.3599998951 E_LUMO=-0.704999983311 r_s=2.24000000954 r_p=3.20000004768 r_d=1.96000003815 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -I 3.55200000 3.55200000 3.55200000 -2 -Lattice="0.0 2.4975 2.4975 2.4975 0.0 2.4975 2.4975 2.4975 0.0" Properties=species:S:1:pos:R:3 energy=-7873.897162319816 Z=14.0 period=3.0 IP=-7.75769996643 EA=-0.992999970913 E_HOMO=-4.16300010681 E_LUMO=0.439999997616 r_s=0.9399999976160001 r_p=1.12999999523 r_d=1.88999998569 pbc="T T T" -Si 0.00000000 0.00000000 0.00000000 -Si 2.49750000 2.49750000 2.49750000 -2 -Lattice="0.0 2.0025 2.0025 2.0025 0.0 2.0025 2.0025 2.0025 0.0" Properties=species:S:1:pos:R:3 energy=-4451.285598745774 Z=14.0 period=3.0 IP=-7.75769996643 EA=-0.992999970913 E_HOMO=-4.16300010681 E_LUMO=0.439999997616 r_s=0.9399999976160001 r_p=1.12999999523 r_d=1.88999998569 pbc="T T T" -Si 0.00000000 0.00000000 0.00000000 -C 2.00250000 2.00250000 2.00250000 -2 -Lattice="0.0 3.0045 3.0045 3.0045 0.0 3.0045 3.0045 3.0045 0.0" Properties=species:S:1:pos:R:3 energy=-170215.3505922382 Z=50.0 period=5.0 IP=-7.04279994965 EA=-1.03919994831 E_HOMO=-3.86599993706 E_LUMO=0.008000000379979999 r_s=1.05999994278 r_p=1.34000003338 r_d=2.02999997139 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -Sn 3.00450000 3.00450000 3.00450000 -2 -Lattice="0.0 2.355 2.355 2.355 0.0 2.355 2.355 2.355 0.0" Properties=species:S:1:pos:R:3 energy=-85621.03540856167 Z=50.0 period=5.0 IP=-7.04279994965 EA=-1.03919994831 E_HOMO=-3.86599993706 E_LUMO=0.008000000379979999 r_s=1.05999994278 r_p=1.34000003338 r_d=2.02999997139 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -C 2.35500000 2.35500000 2.35500000 -2 -Lattice="0.0 2.828 2.828 2.828 0.0 2.828 2.828 2.828 0.0" Properties=species:S:1:pos:R:3 energy=-113787.45028712797 Z=50.0 period=5.0 IP=-7.04279994965 EA=-1.03919994831 E_HOMO=-3.86599993706 E_LUMO=0.008000000379979999 r_s=1.05999994278 r_p=1.34000003338 r_d=2.02999997139 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -Ge 2.82800000 2.82800000 2.82800000 -2 -Lattice="0.0 2.7695000000000003 2.7695000000000003 2.7695000000000003 0.0 2.7695000000000003 2.7695000000000003 2.7695000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-89044.49540319394 Z=50.0 period=5.0 IP=-7.04279994965 EA=-1.03919994831 E_HOMO=-3.86599993706 E_LUMO=0.008000000379979999 r_s=1.05999994278 r_p=1.34000003338 r_d=2.02999997139 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -Si 2.76950000 2.76950000 2.76950000 -2 -Lattice="0.0 2.533 2.533 2.533 0.0 2.533 2.533 2.533 0.0" Properties=species:S:1:pos:R:3 energy=-44570.36172228581 Z=38.0 period=5.0 IP=-6.03159999847 EA=0.34310001134900003 E_HOMO=-3.64100003242 E_LUMO=-1.3789999485 r_s=1.90999996662 r_p=2.54999995232 r_d=1.20000004768 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -O 2.53300000 2.53300000 2.53300000 -2 -Lattice="0.0 2.953 2.953 2.953 0.0 2.953 2.953 2.953 0.0" Properties=species:S:1:pos:R:3 energy=-48975.63558331968 Z=38.0 period=5.0 IP=-6.03159999847 EA=0.34310001134900003 E_HOMO=-3.64100003242 E_LUMO=-1.3789999485 r_s=1.90999996662 r_p=2.54999995232 r_d=1.20000004768 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -S 2.95300000 2.95300000 2.95300000 -2 -Lattice="0.0 3.062 3.062 3.062 0.0 3.062 3.062 3.062 0.0" Properties=species:S:1:pos:R:3 energy=-76782.08842904876 Z=38.0 period=5.0 IP=-6.03159999847 EA=0.34310001134900003 E_HOMO=-3.64100003242 E_LUMO=-1.3789999485 r_s=1.90999996662 r_p=2.54999995232 r_d=1.20000004768 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -Se 3.06200000 3.06200000 3.06200000 -2 -Lattice="0.0 3.2635 3.2635 3.2635 0.0 3.2635 3.2635 3.2635 0.0" Properties=species:S:1:pos:R:3 energy=-137269.48714743802 Z=38.0 period=5.0 IP=-6.03159999847 EA=0.34310001134900003 E_HOMO=-3.64100003242 E_LUMO=-1.3789999485 r_s=1.90999996662 r_p=2.54999995232 r_d=1.20000004768 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -Te 3.26350000 3.26350000 3.26350000 -2 -Lattice="0.0 2.106 2.106 2.106 0.0 2.106 2.106 2.106 0.0" Properties=species:S:1:pos:R:3 energy=-25540.809204712215 Z=30.0 period=4.0 IP=-10.1354999542 EA=1.08070003986 E_HOMO=-6.21700000763 E_LUMO=-1.1940000057200002 r_s=1.10000002384 r_p=1.5499999523199999 r_d=2.25 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -O 2.10600000 2.10600000 2.10600000 -2 -Lattice="0.0 2.483 2.483 2.483 0.0 2.483 2.483 2.483 0.0" Properties=species:S:1:pos:R:3 energy=-29945.889373092232 Z=30.0 period=4.0 IP=-10.1354999542 EA=1.08070003986 E_HOMO=-6.21700000763 E_LUMO=-1.1940000057200002 r_s=1.10000002384 r_p=1.5499999523199999 r_d=2.25 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -S 2.48300000 2.48300000 2.48300000 -2 -Lattice="0.0 2.607 2.607 2.607 0.0 2.607 2.607 2.607 0.0" Properties=species:S:1:pos:R:3 energy=-57752.31987547867 Z=30.0 period=4.0 IP=-10.1354999542 EA=1.08070003986 E_HOMO=-6.21700000763 E_LUMO=-1.1940000057200002 r_s=1.10000002384 r_p=1.5499999523199999 r_d=2.25 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -Se 2.60700000 2.60700000 2.60700000 -2 -Lattice="0.0 2.7985 2.7985 2.7985 0.0 2.7985 2.7985 2.7985 0.0" Properties=species:S:1:pos:R:3 energy=-118239.80767561558 Z=30.0 period=4.0 IP=-10.1354999542 EA=1.08070003986 E_HOMO=-6.21700000763 E_LUMO=-1.1940000057200002 r_s=1.10000002384 r_p=1.5499999523199999 r_d=2.25 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -Te 2.79850000 2.79850000 2.79850000 diff --git a/data/compressed_sensing/ZB_structures.xyz b/data/compressed_sensing/ZB_structures.xyz deleted file mode 100644 index 24343085e7bee4e49d4908e8d97ad618a811abab..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/ZB_structures.xyz +++ /dev/null @@ -1,328 +0,0 @@ -2 -Lattice="0.0 3.0175 3.0175 3.0175 0.0 3.0175 3.0175 3.0175 0.0" Properties=species:S:1:pos:R:3 energy=-108781.30392515441 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -Br 1.50875000 1.50875000 1.50875000 -2 -Lattice="0.0 2.8900000000000006 2.8900000000000006 2.8900000000000006 0.0 2.8900000000000006 2.8900000000000006 2.8900000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-79397.40828546332 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -Cl 1.44500000 1.44500000 1.44500000 -2 -Lattice="0.0 2.601 2.601 2.601 0.0 2.601 2.601 2.601 0.0" Properties=species:S:1:pos:R:3 energy=-74477.27440749042 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -F 1.30050000 1.30050000 1.30050000 -2 -Lattice="0.0 3.1775 3.1775 3.1775 0.0 3.1775 3.1775 3.1775 0.0" Properties=species:S:1:pos:R:3 energy=-171339.2451068673 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -Ag 0.00000000 0.00000000 0.00000000 -I 1.58875000 1.58875000 1.58875000 -2 -Lattice="0.0 2.816 2.816 2.816 0.0 2.816 2.816 2.816 0.0" Properties=species:S:1:pos:R:3 energy=-34200.29077459535 Z=33.0 period=4.0 IP=-9.26189994812 EA=-1.8392000198400003 E_HOMO=-5.34100008011 E_LUMO=0.0640000030398 r_s=0.850000023842 r_p=1.03999996185 r_d=2.0199999809299998 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -As 1.40800000 1.40800000 1.40800000 -2 -Lattice="0.0 2.1725 2.1725 2.1725 0.0 2.1725 2.1725 2.1725 0.0" Properties=species:S:1:pos:R:3 energy=-4036.501997576937 Z=7.0 period=2.0 IP=-13.5852003098 EA=-1.86749994755 E_HOMO=-7.2389998436 E_LUMO=3.0569999218 r_s=0.540000021458 r_p=0.509999990463 r_d=1.53999996185 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -N 1.08625000 1.08625000 1.08625000 -2 -Lattice="0.0 2.718 2.718 2.718 0.0 2.718 2.718 2.718 0.0" Properties=species:S:1:pos:R:3 energy=-7941.081703564847 Z=15.0 period=3.0 IP=-9.75059986115 EA=-1.9199999570800002 E_HOMO=-5.59600019455 E_LUMO=0.18299999833099997 r_s=0.829999983311 r_p=0.97000002861 r_d=1.76999998093 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -P 1.35900000 1.35900000 1.35900000 -2 -Lattice="0.0 3.056 3.056 3.056 0.0 3.056 3.056 3.056 0.0" Properties=species:S:1:pos:R:3 energy=-92644.34887311883 Z=51.0 period=5.0 IP=-8.46829986572 EA=-1.84669995308 E_HOMO=-4.99100017548 E_LUMO=0.104999996722 r_s=1.0 r_p=1.23000001907 r_d=2.0599999427799998 pbc="T T T" -Al 0.00000000 0.00000000 0.00000000 -Sb 1.52800000 1.52800000 1.52800000 -2 -Lattice="0.0 2.8035 2.8035 2.8035 0.0 2.8035 2.8035 2.8035 0.0" Properties=species:S:1:pos:R:3 energy=-57457.9542356472 Z=33.0 period=4.0 IP=-9.26189994812 EA=-1.8392000198400003 E_HOMO=-5.34100008011 E_LUMO=0.0640000030398 r_s=0.850000023842 r_p=1.03999996185 r_d=2.0199999809299998 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -As 1.40175000 1.40175000 1.40175000 -2 -Lattice="0.0 2.367 2.367 2.367 0.0 2.367 2.367 2.367 0.0" Properties=species:S:1:pos:R:3 energy=-31240.22232232208 Z=33.0 period=4.0 IP=-9.26189994812 EA=-1.8392000198400003 E_HOMO=-5.34100008011 E_LUMO=0.0640000030398 r_s=0.850000023842 r_p=1.03999996185 r_d=2.0199999809299998 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -As 1.18350000 1.18350000 1.18350000 -2 -Lattice="0.0 1.7915000000000003 1.7915000000000003 1.7915000000000003 0.0 1.7915000000000003 1.7915000000000003 1.7915000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-1076.7454955539624 Z=7.0 period=2.0 IP=-13.5852003098 EA=-1.86749994755 E_HOMO=-7.2389998436 E_LUMO=3.0569999218 r_s=0.540000021458 r_p=0.509999990463 r_d=1.53999996185 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -N 0.89575000 0.89575000 0.89575000 -2 -Lattice="0.0 2.246 2.246 2.246 0.0 2.246 2.246 2.246 0.0" Properties=species:S:1:pos:R:3 energy=-4981.291645038916 Z=15.0 period=3.0 IP=-9.75059986115 EA=-1.9199999570800002 E_HOMO=-5.59600019455 E_LUMO=0.18299999833099997 r_s=0.829999983311 r_p=0.97000002861 r_d=1.76999998093 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -P 1.12300000 1.12300000 1.12300000 -2 -Lattice="0.0 2.5930000000000004 2.5930000000000004 2.5930000000000004 0.0 2.5930000000000004 2.5930000000000004 2.5930000000000004 0.0" Properties=species:S:1:pos:R:3 energy=-89684.1945505284 Z=51.0 period=5.0 IP=-8.46829986572 EA=-1.84669995308 E_HOMO=-4.99100017548 E_LUMO=0.104999996722 r_s=1.0 r_p=1.23000001907 r_d=2.0599999427799998 pbc="T T T" -B 0.00000000 0.00000000 0.00000000 -Sb 1.29650000 1.29650000 1.29650000 -2 -Lattice="0.0 2.8965 2.8965 2.8965 0.0 2.8965 2.8965 2.8965 0.0" Properties=species:S:1:pos:R:3 energy=-113504.73396479135 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -O 1.44825000 1.44825000 1.44825000 -2 -Lattice="0.0 3.433 3.433 3.433 0.0 3.433 3.433 3.433 0.0" Properties=species:S:1:pos:R:3 energy=-117909.9511775038 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -S 1.71650000 1.71650000 1.71650000 -2 -Lattice="0.0 3.5640000000000005 3.5640000000000005 3.5640000000000005 0.0 3.5640000000000005 3.5640000000000005 3.5640000000000005 0.0" Properties=species:S:1:pos:R:3 energy=-145716.42622697598 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -Se 1.78200000 1.78200000 1.78200000 -2 -Lattice="0.0 3.807 3.807 3.807 0.0 3.807 3.807 3.807 0.0" Properties=species:S:1:pos:R:3 energy=-206203.85365855953 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Ba 0.00000000 0.00000000 0.00000000 -Te 1.90350000 1.90350000 1.90350000 -2 -Lattice="0.0 1.8433800000000002 1.8433800000000002 1.8433800000000002 0.0 1.8433800000000002 1.8433800000000002 1.8433800000000002 0.0" Properties=species:S:1:pos:R:3 energy=-1219.1317960407468 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -O 0.92169000 0.92169000 0.92169000 -2 -Lattice="0.0 2.399 2.399 2.399 0.0 2.399 2.399 2.399 0.0" Properties=species:S:1:pos:R:3 energy=-5623.02186716789 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -S 1.19950000 1.19950000 1.19950000 -2 -Lattice="0.0 2.5420000000000003 2.5420000000000003 2.5420000000000003 0.0 2.5420000000000003 2.5420000000000003 2.5420000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-33429.291702542425 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -Se 1.27100000 1.27100000 1.27100000 -2 -Lattice="0.0 2.779 2.779 2.779 0.0 2.779 2.779 2.779 0.0" Properties=species:S:1:pos:R:3 energy=-93916.57277200608 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Be 0.00000000 0.00000000 0.00000000 -Te 1.38950000 1.38950000 1.38950000 -2 -Lattice="0.0 1.767 1.767 1.767 0.0 1.767 1.767 1.767 0.0" Properties=species:S:1:pos:R:3 energy=-1029.1774239138254 Z=6.0 period=2.0 IP=-10.851699829100001 EA=-0.87239998579 E_HOMO=-5.415999889369999 E_LUMO=1.99199998379 r_s=0.6399999856949999 r_p=0.629999995232 r_d=1.62999999523 pbc="T T T" -C 0.00000000 0.00000000 0.00000000 -C 0.88350000 0.88350000 0.88350000 -2 -Lattice="0.0 2.5605 2.5605 2.5605 0.0 2.5605 2.5605 2.5605 0.0" Properties=species:S:1:pos:R:3 energy=-10276.63586618221 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -O 1.28025000 1.28025000 1.28025000 -2 -Lattice="0.0 3.0780000000000003 3.0780000000000003 3.0780000000000003 0.0 3.0780000000000003 3.0780000000000003 3.0780000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-14681.577607840461 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -S 1.53900000 1.53900000 1.53900000 -2 -Lattice="0.0 3.209 3.209 3.209 0.0 3.209 3.209 3.209 0.0" Properties=species:S:1:pos:R:3 energy=-42487.99212246608 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -Se 1.60450000 1.60450000 1.60450000 -2 -Lattice="0.0 3.4565000000000006 3.4565000000000006 3.4565000000000006 0.0 3.4565000000000006 3.4565000000000006 3.4565000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-102975.3456626407 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Ca 0.00000000 0.00000000 0.00000000 -Te 1.72825000 1.72825000 1.72825000 -2 -Lattice="0.0 2.4965 2.4965 2.4965 0.0 2.4965 2.4965 2.4965 0.0" Properties=species:S:1:pos:R:3 energy=-78015.08414810536 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -O 1.24825000 1.24825000 1.24825000 -2 -Lattice="0.0 2.88 2.88 2.88 0.0 2.88 2.88 2.88 0.0" Properties=species:S:1:pos:R:3 energy=-82420.63603453907 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -S 1.44000000 1.44000000 1.44000000 -2 -Lattice="0.0 3.0065 3.0065 3.0065 0.0 3.0065 3.0065 3.0065 0.0" Properties=species:S:1:pos:R:3 energy=-110227.14483277715 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -Se 1.50325000 1.50325000 1.50325000 -2 -Lattice="0.0 3.207 3.207 3.207 0.0 3.207 3.207 3.207 0.0" Properties=species:S:1:pos:R:3 energy=-170714.7038519616 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Cd 0.00000000 0.00000000 0.00000000 -Te 1.60350000 1.60350000 1.60350000 -2 -Lattice="0.0 3.9145 3.9145 3.9145 0.0 3.9145 3.9145 3.9145 0.0" Properties=species:S:1:pos:R:3 energy=-143254.27847013192 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -Br 1.95725000 1.95725000 1.95725000 -2 -Lattice="0.0 3.7425 3.7425 3.7425 0.0 3.7425 3.7425 3.7425 0.0" Properties=species:S:1:pos:R:3 energy=-113870.47586427315 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -Cl 1.87125000 1.87125000 1.87125000 -2 -Lattice="0.0 3.171 3.171 3.171 0.0 3.171 3.171 3.171 0.0" Properties=species:S:1:pos:R:3 energy=-108950.78058551207 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -F 1.58550000 1.58550000 1.58550000 -2 -Lattice="0.0 4.176 4.176 4.176 0.0 4.176 4.176 4.176 0.0" Properties=species:S:1:pos:R:3 energy=-205812.02046976562 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -Cs 0.00000000 0.00000000 0.00000000 -I 2.08800000 2.08800000 2.08800000 -2 -Lattice="0.0 2.749 2.749 2.749 0.0 2.749 2.749 2.749 0.0" Properties=species:S:1:pos:R:3 energy=-58243.92527866041 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -Br 1.37450000 1.37450000 1.37450000 -2 -Lattice="0.0 2.6050000000000004 2.6050000000000004 2.6050000000000004 0.0 2.6050000000000004 2.6050000000000004 2.6050000000000004 0.0" Properties=species:S:1:pos:R:3 energy=-28860.103219256605 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -Cl 1.30250000 1.30250000 1.30250000 -2 -Lattice="0.0 2.3315 2.3315 2.3315 0.0 2.3315 2.3315 2.3315 0.0" Properties=species:S:1:pos:R:3 energy=-23939.94381870442 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -F 1.16575000 1.16575000 1.16575000 -2 -Lattice="0.0 2.932 2.932 2.932 0.0 2.932 2.932 2.932 0.0" Properties=species:S:1:pos:R:3 energy=-120801.82338283311 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -Cu 0.00000000 0.00000000 0.00000000 -I 1.46600000 1.46600000 1.46600000 -2 -Lattice="0.0 2.23 2.23 2.23 0.0 2.23 2.23 2.23 0.0" Properties=species:S:1:pos:R:3 energy=-27293.39739091784 Z=7.0 period=2.0 IP=-13.5852003098 EA=-1.86749994755 E_HOMO=-7.2389998436 E_LUMO=3.0569999218 r_s=0.540000021458 r_p=0.509999990463 r_d=1.53999996185 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -N 1.11500000 1.11500000 1.11500000 -2 -Lattice="0.0 2.6975 2.6975 2.6975 0.0 2.6975 2.6975 2.6975 0.0" Properties=species:S:1:pos:R:3 energy=-31198.704267711593 Z=15.0 period=3.0 IP=-9.75059986115 EA=-1.9199999570800002 E_HOMO=-5.59600019455 E_LUMO=0.18299999833099997 r_s=0.829999983311 r_p=0.97000002861 r_d=1.76999998093 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -P 1.34875000 1.34875000 1.34875000 -2 -Lattice="0.0 3.026 3.026 3.026 0.0 3.026 3.026 3.026 0.0" Properties=species:S:1:pos:R:3 energy=-115902.13737392346 Z=51.0 period=5.0 IP=-8.46829986572 EA=-1.84669995308 E_HOMO=-4.99100017548 E_LUMO=0.104999996722 r_s=1.0 r_p=1.23000001907 r_d=2.0599999427799998 pbc="T T T" -Ga 0.00000000 0.00000000 0.00000000 -Sb 1.51300000 1.51300000 1.51300000 -2 -Lattice="0.0 2.8130000000000006 2.8130000000000006 2.8130000000000006 0.0 2.8130000000000006 2.8130000000000006 2.8130000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-57359.76205669544 Z=32.0 period=4.0 IP=-7.566999912260001 EA=-0.9490000009540001 E_HOMO=-4.04600000381 E_LUMO=2.17499995232 r_s=0.920000016689 r_p=1.15999996662 r_d=2.36999988556 pbc="T T T" -Ge 0.00000000 0.00000000 0.00000000 -Ge 1.40650000 1.40650000 1.40650000 -2 -Lattice="0.0 2.2655 2.2655 2.2655 0.0 2.2655 2.2655 2.2655 0.0" Properties=species:S:1:pos:R:3 energy=-29194.089918007925 Z=6.0 period=2.0 IP=-10.851699829100001 EA=-0.87239998579 E_HOMO=-5.415999889369999 E_LUMO=1.99199998379 r_s=0.6399999856949999 r_p=0.629999995232 r_d=1.62999999523 pbc="T T T" -Ge 0.00000000 0.00000000 0.00000000 -C 1.13275000 1.13275000 1.13275000 -2 -Lattice="0.0 2.7505000000000006 2.7505000000000006 2.7505000000000006 0.0 2.7505000000000006 2.7505000000000006 2.7505000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-32616.95724905803 Z=14.0 period=3.0 IP=-7.75769996643 EA=-0.992999970913 E_HOMO=-4.16300010681 E_LUMO=0.439999997616 r_s=0.9399999976160001 r_p=1.12999999523 r_d=1.88999998569 pbc="T T T" -Ge 0.00000000 0.00000000 0.00000000 -Si 1.37525000 1.37525000 1.37525000 -2 -Lattice="0.0 3.0140000000000002 3.0140000000000002 3.0140000000000002 0.0 3.0140000000000002 3.0140000000000002 3.0140000000000002 0.0" Properties=species:S:1:pos:R:3 energy=-111895.92130234063 Z=33.0 period=4.0 IP=-9.26189994812 EA=-1.8392000198400003 E_HOMO=-5.34100008011 E_LUMO=0.0640000030398 r_s=0.850000023842 r_p=1.03999996185 r_d=2.0199999809299998 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -As 1.50700000 1.50700000 1.50700000 -2 -Lattice="0.0 2.4715 2.4715 2.4715 0.0 2.4715 2.4715 2.4715 0.0" Properties=species:S:1:pos:R:3 energy=-81730.86850504993 Z=7.0 period=2.0 IP=-13.5852003098 EA=-1.86749994755 E_HOMO=-7.2389998436 E_LUMO=3.0569999218 r_s=0.540000021458 r_p=0.509999990463 r_d=1.53999996185 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -N 1.23575000 1.23575000 1.23575000 -2 -Lattice="0.0 2.9150000000000005 2.9150000000000005 2.9150000000000005 0.0 2.9150000000000005 2.9150000000000005 2.9150000000000005 0.0" Properties=species:S:1:pos:R:3 energy=-85636.59118980984 Z=15.0 period=3.0 IP=-9.75059986115 EA=-1.9199999570800002 E_HOMO=-5.59600019455 E_LUMO=0.18299999833099997 r_s=0.829999983311 r_p=0.97000002861 r_d=1.76999998093 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -P 1.45750000 1.45750000 1.45750000 -2 -Lattice="0.0 3.227 3.227 3.227 0.0 3.227 3.227 3.227 0.0" Properties=species:S:1:pos:R:3 energy=-170340.1816661715 Z=51.0 period=5.0 IP=-8.46829986572 EA=-1.84669995308 E_HOMO=-4.99100017548 E_LUMO=0.104999996722 r_s=1.0 r_p=1.23000001907 r_d=2.0599999427799998 pbc="T T T" -In 0.00000000 0.00000000 0.00000000 -Sb 1.61350000 1.61350000 1.61350000 -2 -Lattice="0.0 3.5705000000000005 3.5705000000000005 3.5705000000000005 0.0 3.5705000000000005 3.5705000000000005 3.5705000000000005 0.0" Properties=species:S:1:pos:R:3 energy=-43846.06201009732 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -Br 1.78525000 1.78525000 1.78525000 -2 -Lattice="0.0 3.3865000000000003 3.3865000000000003 3.3865000000000003 0.0 3.3865000000000003 3.3865000000000003 3.3865000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-14462.280011004648 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -Cl 1.69325000 1.69325000 1.69325000 -2 -Lattice="0.0 2.8485 2.8485 2.8485 0.0 2.8485 2.8485 2.8485 0.0" Properties=species:S:1:pos:R:3 energy=-9542.631470961054 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -F 1.42425000 1.42425000 1.42425000 -2 -Lattice="0.0 3.823 3.823 3.823 0.0 3.823 3.823 3.823 0.0" Properties=species:S:1:pos:R:3 energy=-106403.78285770351 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -K 0.00000000 0.00000000 0.00000000 -I 1.91150000 1.91150000 1.91150000 -2 -Lattice="0.0 2.8440000000000003 2.8440000000000003 2.8440000000000003 0.0 2.8440000000000003 2.8440000000000003 2.8440000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-35758.22129047253 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -Br 1.42200000 1.42200000 1.42200000 -2 -Lattice="0.0 2.665 2.665 2.665 0.0 2.665 2.665 2.665 0.0" Properties=species:S:1:pos:R:3 energy=-6374.504439828846 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -Cl 1.33250000 1.33250000 1.33250000 -2 -Lattice="0.0 2.106 2.106 2.106 0.0 2.106 2.106 2.106 0.0" Properties=species:S:1:pos:R:3 energy=-1455.1827425371428 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -F 1.05300000 1.05300000 1.05300000 -2 -Lattice="0.0 3.1045 3.1045 3.1045 0.0 3.1045 3.1045 3.1045 0.0" Properties=species:S:1:pos:R:3 energy=-98315.88338153038 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -Li 0.00000000 0.00000000 0.00000000 -I 1.55225000 1.55225000 1.55225000 -2 -Lattice="0.0 2.2595 2.2595 2.2595 0.0 2.2595 2.2595 2.2595 0.0" Properties=species:S:1:pos:R:3 energy=-3736.8424702157927 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -O 1.12975000 1.12975000 1.12975000 -2 -Lattice="0.0 2.799 2.799 2.799 0.0 2.799 2.799 2.799 0.0" Properties=species:S:1:pos:R:3 energy=-8141.506683538365 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -S 1.39950000 1.39950000 1.39950000 -2 -Lattice="0.0 2.938 2.938 2.938 0.0 2.938 2.938 2.938 0.0" Properties=species:S:1:pos:R:3 energy=-35947.88472904348 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -Se 1.46900000 1.46900000 1.46900000 -2 -Lattice="0.0 3.186 3.186 3.186 0.0 3.186 3.186 3.186 0.0" Properties=species:S:1:pos:R:3 energy=-96435.23376243205 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Mg 0.00000000 0.00000000 0.00000000 -Te 1.59300000 1.59300000 1.59300000 -2 -Lattice="0.0 3.189 3.189 3.189 0.0 3.189 3.189 3.189 0.0" Properties=species:S:1:pos:R:3 energy=-37858.99965472755 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -Br 1.59450000 1.59450000 1.59450000 -2 -Lattice="0.0 3.0155000000000003 3.0155000000000003 3.0155000000000003 0.0 3.0155000000000003 3.0155000000000003 3.0155000000000003 0.0" Properties=species:S:1:pos:R:3 energy=-8475.24044242147 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -Cl 1.50775000 1.50775000 1.50775000 -2 -Lattice="0.0 2.4825 2.4825 2.4825 0.0 2.4825 2.4825 2.4825 0.0" Properties=species:S:1:pos:R:3 energy=-3555.697617887323 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -F 1.24125000 1.24125000 1.24125000 -2 -Lattice="0.0 3.446 3.446 3.446 0.0 3.446 3.446 3.446 0.0" Properties=species:S:1:pos:R:3 energy=-100416.70139304109 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -Na 0.00000000 0.00000000 0.00000000 -I 1.72300000 1.72300000 1.72300000 -2 -Lattice="0.0 3.7255 3.7255 3.7255 0.0 3.7255 3.7255 3.7255 0.0" Properties=species:S:1:pos:R:3 energy=-76473.52557213472 Z=35.0 period=4.0 IP=-12.649600029 EA=-3.73930001259 E_HOMO=-8.001000404360001 E_LUMO=0.7080000042919999 r_s=0.75 r_p=0.879999995232 r_d=1.87000000477 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -Br 1.86275000 1.86275000 1.86275000 -2 -Lattice="0.0 3.553 3.553 3.553 0.0 3.553 3.553 3.553 0.0" Properties=species:S:1:pos:R:3 energy=-47089.732419464555 Z=17.0 period=3.0 IP=-13.9018001556 EA=-3.9707999229400004 E_HOMO=-8.699999809269999 E_LUMO=0.574000000954 r_s=0.6800000071529999 r_p=0.7599999904629999 r_d=1.6699999570800002 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -Cl 1.77650000 1.77650000 1.77650000 -2 -Lattice="0.0 3.006 3.006 3.006 0.0 3.006 3.006 3.006 0.0" Properties=species:S:1:pos:R:3 energy=-42170.04806322617 Z=9.0 period=2.0 IP=-19.4043006897 EA=-4.27349996567 E_HOMO=-11.2939996719 E_LUMO=1.25100004673 r_s=0.409999996424 r_p=0.37000000476800005 r_d=1.42999994755 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -F 1.50300000 1.50300000 1.50300000 -2 -Lattice="0.0 3.9885 3.9885 3.9885 0.0 3.9885 3.9885 3.9885 0.0" Properties=species:S:1:pos:R:3 energy=-139031.25821177967 Z=53.0 period=5.0 IP=-11.2571001053 EA=-3.5134999752 E_HOMO=-7.2360000610399995 E_LUMO=0.212999999523 r_s=0.899999976158 r_p=1.07000005245 r_d=1.7200000286099997 pbc="T T T" -Rb 0.00000000 0.00000000 0.00000000 -I 1.99425000 1.99425000 1.99425000 -2 -Lattice="0.0 2.7015 2.7015 2.7015 0.0 2.7015 2.7015 2.7015 0.0" Properties=species:S:1:pos:R:3 energy=-7874.176328141364 Z=14.0 period=3.0 IP=-7.75769996643 EA=-0.992999970913 E_HOMO=-4.16300010681 E_LUMO=0.439999997616 r_s=0.9399999976160001 r_p=1.12999999523 r_d=1.88999998569 pbc="T T T" -Si 0.00000000 0.00000000 0.00000000 -Si 1.35075000 1.35075000 1.35075000 -2 -Lattice="0.0 2.1655 2.1655 2.1655 0.0 2.1655 2.1655 2.1655 0.0" Properties=species:S:1:pos:R:3 energy=-4451.95462247301 Z=6.0 period=2.0 IP=-10.851699829100001 EA=-0.87239998579 E_HOMO=-5.415999889369999 E_LUMO=1.99199998379 r_s=0.6399999856949999 r_p=0.629999995232 r_d=1.62999999523 pbc="T T T" -Si 0.00000000 0.00000000 0.00000000 -C 1.08275000 1.08275000 1.08275000 -2 -Lattice="0.0 3.238 3.238 3.238 0.0 3.238 3.238 3.238 0.0" Properties=species:S:1:pos:R:3 energy=-170215.36755613738 Z=50.0 period=5.0 IP=-7.04279994965 EA=-1.03919994831 E_HOMO=-3.86599993706 E_LUMO=0.008000000379979999 r_s=1.05999994278 r_p=1.34000003338 r_d=2.02999997139 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -Sn 1.61900000 1.61900000 1.61900000 -2 -Lattice="0.0 2.4995 2.4995 2.4995 0.0 2.4995 2.4995 2.4995 0.0" Properties=species:S:1:pos:R:3 energy=-85621.48894653581 Z=6.0 period=2.0 IP=-10.851699829100001 EA=-0.87239998579 E_HOMO=-5.415999889369999 E_LUMO=1.99199998379 r_s=0.6399999856949999 r_p=0.629999995232 r_d=1.62999999523 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -C 1.24975000 1.24975000 1.24975000 -2 -Lattice="0.0 3.03 3.03 3.03 0.0 3.03 3.03 3.03 0.0" Properties=species:S:1:pos:R:3 energy=-113787.5319504882 Z=32.0 period=4.0 IP=-7.566999912260001 EA=-0.9490000009540001 E_HOMO=-4.04600000381 E_LUMO=2.17499995232 r_s=0.920000016689 r_p=1.15999996662 r_d=2.36999988556 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -Ge 1.51500000 1.51500000 1.51500000 -2 -Lattice="0.0 2.9765 2.9765 2.9765 0.0 2.9765 2.9765 2.9765 0.0" Properties=species:S:1:pos:R:3 energy=-89044.63051199305 Z=14.0 period=3.0 IP=-7.75769996643 EA=-0.992999970913 E_HOMO=-4.16300010681 E_LUMO=0.439999997616 r_s=0.9399999976160001 r_p=1.12999999523 r_d=1.88999998569 pbc="T T T" -Sn 0.00000000 0.00000000 0.00000000 -Si 1.48825000 1.48825000 1.48825000 -2 -Lattice="0.0 2.74 2.74 2.74 0.0 2.74 2.74 2.74 0.0" Properties=species:S:1:pos:R:3 energy=-44570.141415662634 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -O 1.37000000 1.37000000 1.37000000 -2 -Lattice="0.0 3.257 3.257 3.257 0.0 3.257 3.257 3.257 0.0" Properties=species:S:1:pos:R:3 energy=-48975.26714918975 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -S 1.62850000 1.62850000 1.62850000 -2 -Lattice="0.0 3.3875000000000006 3.3875000000000006 3.3875000000000006 0.0 3.3875000000000006 3.3875000000000006 3.3875000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-76781.71391809703 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -Se 1.69375000 1.69375000 1.69375000 -2 -Lattice="0.0 3.6335000000000006 3.6335000000000006 3.6335000000000006 0.0 3.6335000000000006 3.6335000000000006 3.6335000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-137269.10785271216 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Sr 0.00000000 0.00000000 0.00000000 -Te 1.81675000 1.81675000 1.81675000 -2 -Lattice="0.0 2.2465 2.2465 2.2465 0.0 2.2465 2.2465 2.2465 0.0" Properties=species:S:1:pos:R:3 energy=-25540.911172888984 Z=8.0 period=2.0 IP=-16.433200836199997 EA=-3.00589990616 E_HOMO=-9.19699954987 E_LUMO=2.54099988937 r_s=0.460000008345 r_p=0.430000007153 r_d=2.22000002861 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -O 1.12325000 1.12325000 1.12325000 -2 -Lattice="0.0 2.6495000000000006 2.6495000000000006 2.6495000000000006 0.0 2.6495000000000006 2.6495000000000006 2.6495000000000006 0.0" Properties=species:S:1:pos:R:3 energy=-29946.16518641784 Z=16.0 period=3.0 IP=-11.795100212100001 EA=-2.8448998928099996 E_HOMO=-7.105999946589999 E_LUMO=0.64200001955 r_s=0.7400000095370001 r_p=0.850000023842 r_d=2.36999988556 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -S 1.32475000 1.32475000 1.32475000 -2 -Lattice="0.0 2.786 2.786 2.786 0.0 2.786 2.786 2.786 0.0" Properties=species:S:1:pos:R:3 energy=-57752.58301237795 Z=34.0 period=4.0 IP=-10.9460000992 EA=-2.7509999275200006 E_HOMO=-6.65399980545 E_LUMO=1.31599998474 r_s=0.800000011921 r_p=0.949999988079 r_d=2.18000006676 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -Se 1.39300000 1.39300000 1.39300000 -2 -Lattice="0.0 2.999 2.999 2.999 0.0 2.999 2.999 2.999 0.0" Properties=species:S:1:pos:R:3 energy=-118240.05267691075 Z=52.0 period=5.0 IP=-9.86670017242 EA=-2.66599988937 E_HOMO=-6.10900020599 E_LUMO=0.09899999946360001 r_s=0.9399999976160001 r_p=1.1399999856899998 r_d=1.8300000429199998 pbc="T T T" -Zn 0.00000000 0.00000000 0.00000000 -Te 1.49950000 1.49950000 1.49950000 diff --git a/data/compressed_sensing/structures/RS_structures/AgBr.xyz b/data/compressed_sensing/structures/RS_structures/AgBr.xyz deleted file mode 100644 index 3679f32653426714a3db2a3e90a3cc3ccfe5b384..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AgBr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -Br 2.792500 2.792500 2.792500 -Ag 2.792500 2.792500 0.000000 -Br 5.585000 5.585000 2.792500 -Ag 5.585000 5.585000 0.000000 -Br 8.377500 8.377500 2.792500 -Ag 2.792500 0.000000 2.792500 -Br 5.585000 2.792500 5.585000 -Ag 5.585000 2.792500 2.792500 -Br 8.377500 5.585000 5.585000 -Ag 8.377500 5.585000 2.792500 -Br 11.170000 8.377500 5.585000 -Ag 5.585000 0.000000 5.585000 -Br 8.377500 2.792500 8.377500 -Ag 8.377500 2.792500 5.585000 -Br 11.170000 5.585000 8.377500 -Ag 11.170000 5.585000 5.585000 -Br 13.962500 8.377500 8.377500 -Ag 0.000000 2.792500 2.792500 -Br 2.792500 5.585000 5.585000 -Ag 2.792500 5.585000 2.792500 -Br 5.585000 8.377500 5.585000 -Ag 5.585000 8.377500 2.792500 -Br 8.377500 11.170000 5.585000 -Ag 2.792500 2.792500 5.585000 -Br 5.585000 5.585000 8.377500 -Ag 5.585000 5.585000 5.585000 -Br 8.377500 8.377500 8.377500 -Ag 8.377500 8.377500 5.585000 -Br 11.170000 11.170000 8.377500 -Ag 5.585000 2.792500 8.377500 -Br 8.377500 5.585000 11.170000 -Ag 8.377500 5.585000 8.377500 -Br 11.170000 8.377500 11.170000 -Ag 11.170000 8.377500 8.377500 -Br 13.962500 11.170000 11.170000 -Ag 0.000000 5.585000 5.585000 -Br 2.792500 8.377500 8.377500 -Ag 2.792500 8.377500 5.585000 -Br 5.585000 11.170000 8.377500 -Ag 5.585000 11.170000 5.585000 -Br 8.377500 13.962500 8.377500 -Ag 2.792500 5.585000 8.377500 -Br 5.585000 8.377500 11.170000 -Ag 5.585000 8.377500 8.377500 -Br 8.377500 11.170000 11.170000 -Ag 8.377500 11.170000 8.377500 -Br 11.170000 13.962500 11.170000 -Ag 5.585000 5.585000 11.170000 -Br 8.377500 8.377500 13.962500 -Ag 8.377500 8.377500 11.170000 -Br 11.170000 11.170000 13.962500 -Ag 11.170000 11.170000 11.170000 -Br 13.962500 13.962500 13.962500 diff --git a/data/compressed_sensing/structures/RS_structures/AgCl.xyz b/data/compressed_sensing/structures/RS_structures/AgCl.xyz deleted file mode 100644 index 7155bf5db7994e9e47fd6bbe3f8e90f858776ded..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AgCl.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -Cl 2.677500 2.677500 2.677500 -Ag 2.677500 2.677500 0.000000 -Cl 5.355000 5.355000 2.677500 -Ag 5.355000 5.355000 0.000000 -Cl 8.032500 8.032500 2.677500 -Ag 2.677500 0.000000 2.677500 -Cl 5.355000 2.677500 5.355000 -Ag 5.355000 2.677500 2.677500 -Cl 8.032500 5.355000 5.355000 -Ag 8.032500 5.355000 2.677500 -Cl 10.710000 8.032500 5.355000 -Ag 5.355000 0.000000 5.355000 -Cl 8.032500 2.677500 8.032500 -Ag 8.032500 2.677500 5.355000 -Cl 10.710000 5.355000 8.032500 -Ag 10.710000 5.355000 5.355000 -Cl 13.387500 8.032500 8.032500 -Ag 0.000000 2.677500 2.677500 -Cl 2.677500 5.355000 5.355000 -Ag 2.677500 5.355000 2.677500 -Cl 5.355000 8.032500 5.355000 -Ag 5.355000 8.032500 2.677500 -Cl 8.032500 10.710000 5.355000 -Ag 2.677500 2.677500 5.355000 -Cl 5.355000 5.355000 8.032500 -Ag 5.355000 5.355000 5.355000 -Cl 8.032500 8.032500 8.032500 -Ag 8.032500 8.032500 5.355000 -Cl 10.710000 10.710000 8.032500 -Ag 5.355000 2.677500 8.032500 -Cl 8.032500 5.355000 10.710000 -Ag 8.032500 5.355000 8.032500 -Cl 10.710000 8.032500 10.710000 -Ag 10.710000 8.032500 8.032500 -Cl 13.387500 10.710000 10.710000 -Ag 0.000000 5.355000 5.355000 -Cl 2.677500 8.032500 8.032500 -Ag 2.677500 8.032500 5.355000 -Cl 5.355000 10.710000 8.032500 -Ag 5.355000 10.710000 5.355000 -Cl 8.032500 13.387500 8.032500 -Ag 2.677500 5.355000 8.032500 -Cl 5.355000 8.032500 10.710000 -Ag 5.355000 8.032500 8.032500 -Cl 8.032500 10.710000 10.710000 -Ag 8.032500 10.710000 8.032500 -Cl 10.710000 13.387500 10.710000 -Ag 5.355000 5.355000 10.710000 -Cl 8.032500 8.032500 13.387500 -Ag 8.032500 8.032500 10.710000 -Cl 10.710000 10.710000 13.387500 -Ag 10.710000 10.710000 10.710000 -Cl 13.387500 13.387500 13.387500 diff --git a/data/compressed_sensing/structures/RS_structures/AgF.xyz b/data/compressed_sensing/structures/RS_structures/AgF.xyz deleted file mode 100644 index b41a411a0483acc0c424a2d6bd72030e75fb7fc9..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AgF.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -F 2.395500 2.395500 2.395500 -Ag 2.395500 2.395500 0.000000 -F 4.791000 4.791000 2.395500 -Ag 4.791000 4.791000 0.000000 -F 7.186500 7.186500 2.395500 -Ag 2.395500 0.000000 2.395500 -F 4.791000 2.395500 4.791000 -Ag 4.791000 2.395500 2.395500 -F 7.186500 4.791000 4.791000 -Ag 7.186500 4.791000 2.395500 -F 9.582000 7.186500 4.791000 -Ag 4.791000 0.000000 4.791000 -F 7.186500 2.395500 7.186500 -Ag 7.186500 2.395500 4.791000 -F 9.582000 4.791000 7.186500 -Ag 9.582000 4.791000 4.791000 -F 11.977500 7.186500 7.186500 -Ag 0.000000 2.395500 2.395500 -F 2.395500 4.791000 4.791000 -Ag 2.395500 4.791000 2.395500 -F 4.791000 7.186500 4.791000 -Ag 4.791000 7.186500 2.395500 -F 7.186500 9.582000 4.791000 -Ag 2.395500 2.395500 4.791000 -F 4.791000 4.791000 7.186500 -Ag 4.791000 4.791000 4.791000 -F 7.186500 7.186500 7.186500 -Ag 7.186500 7.186500 4.791000 -F 9.582000 9.582000 7.186500 -Ag 4.791000 2.395500 7.186500 -F 7.186500 4.791000 9.582000 -Ag 7.186500 4.791000 7.186500 -F 9.582000 7.186500 9.582000 -Ag 9.582000 7.186500 7.186500 -F 11.977500 9.582000 9.582000 -Ag 0.000000 4.791000 4.791000 -F 2.395500 7.186500 7.186500 -Ag 2.395500 7.186500 4.791000 -F 4.791000 9.582000 7.186500 -Ag 4.791000 9.582000 4.791000 -F 7.186500 11.977500 7.186500 -Ag 2.395500 4.791000 7.186500 -F 4.791000 7.186500 9.582000 -Ag 4.791000 7.186500 7.186500 -F 7.186500 9.582000 9.582000 -Ag 7.186500 9.582000 7.186500 -F 9.582000 11.977500 9.582000 -Ag 4.791000 4.791000 9.582000 -F 7.186500 7.186500 11.977500 -Ag 7.186500 7.186500 9.582000 -F 9.582000 9.582000 11.977500 -Ag 9.582000 9.582000 9.582000 -F 11.977500 11.977500 11.977500 diff --git a/data/compressed_sensing/structures/RS_structures/AgI.xyz b/data/compressed_sensing/structures/RS_structures/AgI.xyz deleted file mode 100644 index 2a1dbb636809e304b8327f49164f0990394701d3..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AgI.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -I 2.948500 2.948500 2.948500 -Ag 2.948500 2.948500 0.000000 -I 5.897000 5.897000 2.948500 -Ag 5.897000 5.897000 0.000000 -I 8.845500 8.845500 2.948500 -Ag 2.948500 0.000000 2.948500 -I 5.897000 2.948500 5.897000 -Ag 5.897000 2.948500 2.948500 -I 8.845500 5.897000 5.897000 -Ag 8.845500 5.897000 2.948500 -I 11.794000 8.845500 5.897000 -Ag 5.897000 0.000000 5.897000 -I 8.845500 2.948500 8.845500 -Ag 8.845500 2.948500 5.897000 -I 11.794000 5.897000 8.845500 -Ag 11.794000 5.897000 5.897000 -I 14.742500 8.845500 8.845500 -Ag 0.000000 2.948500 2.948500 -I 2.948500 5.897000 5.897000 -Ag 2.948500 5.897000 2.948500 -I 5.897000 8.845500 5.897000 -Ag 5.897000 8.845500 2.948500 -I 8.845500 11.794000 5.897000 -Ag 2.948500 2.948500 5.897000 -I 5.897000 5.897000 8.845500 -Ag 5.897000 5.897000 5.897000 -I 8.845500 8.845500 8.845500 -Ag 8.845500 8.845500 5.897000 -I 11.794000 11.794000 8.845500 -Ag 5.897000 2.948500 8.845500 -I 8.845500 5.897000 11.794000 -Ag 8.845500 5.897000 8.845500 -I 11.794000 8.845500 11.794000 -Ag 11.794000 8.845500 8.845500 -I 14.742500 11.794000 11.794000 -Ag 0.000000 5.897000 5.897000 -I 2.948500 8.845500 8.845500 -Ag 2.948500 8.845500 5.897000 -I 5.897000 11.794000 8.845500 -Ag 5.897000 11.794000 5.897000 -I 8.845500 14.742500 8.845500 -Ag 2.948500 5.897000 8.845500 -I 5.897000 8.845500 11.794000 -Ag 5.897000 8.845500 8.845500 -I 8.845500 11.794000 11.794000 -Ag 8.845500 11.794000 8.845500 -I 11.794000 14.742500 11.794000 -Ag 5.897000 5.897000 11.794000 -I 8.845500 8.845500 14.742500 -Ag 8.845500 8.845500 11.794000 -I 11.794000 11.794000 14.742500 -Ag 11.794000 11.794000 11.794000 -I 14.742500 14.742500 14.742500 diff --git a/data/compressed_sensing/structures/RS_structures/AlAs.xyz b/data/compressed_sensing/structures/RS_structures/AlAs.xyz deleted file mode 100644 index 1436a45a705ef18f6cea0fda57176cd0faf39784..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AlAs.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -As 2.606000 2.606000 2.606000 -Al 2.606000 2.606000 0.000000 -As 5.212000 5.212000 2.606000 -Al 5.212000 5.212000 0.000000 -As 7.818000 7.818000 2.606000 -Al 2.606000 0.000000 2.606000 -As 5.212000 2.606000 5.212000 -Al 5.212000 2.606000 2.606000 -As 7.818000 5.212000 5.212000 -Al 7.818000 5.212000 2.606000 -As 10.424000 7.818000 5.212000 -Al 5.212000 0.000000 5.212000 -As 7.818000 2.606000 7.818000 -Al 7.818000 2.606000 5.212000 -As 10.424000 5.212000 7.818000 -Al 10.424000 5.212000 5.212000 -As 13.030000 7.818000 7.818000 -Al 0.000000 2.606000 2.606000 -As 2.606000 5.212000 5.212000 -Al 2.606000 5.212000 2.606000 -As 5.212000 7.818000 5.212000 -Al 5.212000 7.818000 2.606000 -As 7.818000 10.424000 5.212000 -Al 2.606000 2.606000 5.212000 -As 5.212000 5.212000 7.818000 -Al 5.212000 5.212000 5.212000 -As 7.818000 7.818000 7.818000 -Al 7.818000 7.818000 5.212000 -As 10.424000 10.424000 7.818000 -Al 5.212000 2.606000 7.818000 -As 7.818000 5.212000 10.424000 -Al 7.818000 5.212000 7.818000 -As 10.424000 7.818000 10.424000 -Al 10.424000 7.818000 7.818000 -As 13.030000 10.424000 10.424000 -Al 0.000000 5.212000 5.212000 -As 2.606000 7.818000 7.818000 -Al 2.606000 7.818000 5.212000 -As 5.212000 10.424000 7.818000 -Al 5.212000 10.424000 5.212000 -As 7.818000 13.030000 7.818000 -Al 2.606000 5.212000 7.818000 -As 5.212000 7.818000 10.424000 -Al 5.212000 7.818000 7.818000 -As 7.818000 10.424000 10.424000 -Al 7.818000 10.424000 7.818000 -As 10.424000 13.030000 10.424000 -Al 5.212000 5.212000 10.424000 -As 7.818000 7.818000 13.030000 -Al 7.818000 7.818000 10.424000 -As 10.424000 10.424000 13.030000 -Al 10.424000 10.424000 10.424000 -As 13.030000 13.030000 13.030000 diff --git a/data/compressed_sensing/structures/RS_structures/AlN.xyz b/data/compressed_sensing/structures/RS_structures/AlN.xyz deleted file mode 100644 index 97270f1dbec22763a1a8a0f7830bcc76560f8113..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AlN.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -N 2.004500 2.004500 2.004500 -Al 2.004500 2.004500 0.000000 -N 4.009000 4.009000 2.004500 -Al 4.009000 4.009000 0.000000 -N 6.013500 6.013500 2.004500 -Al 2.004500 0.000000 2.004500 -N 4.009000 2.004500 4.009000 -Al 4.009000 2.004500 2.004500 -N 6.013500 4.009000 4.009000 -Al 6.013500 4.009000 2.004500 -N 8.018000 6.013500 4.009000 -Al 4.009000 0.000000 4.009000 -N 6.013500 2.004500 6.013500 -Al 6.013500 2.004500 4.009000 -N 8.018000 4.009000 6.013500 -Al 8.018000 4.009000 4.009000 -N 10.022500 6.013500 6.013500 -Al 0.000000 2.004500 2.004500 -N 2.004500 4.009000 4.009000 -Al 2.004500 4.009000 2.004500 -N 4.009000 6.013500 4.009000 -Al 4.009000 6.013500 2.004500 -N 6.013500 8.018000 4.009000 -Al 2.004500 2.004500 4.009000 -N 4.009000 4.009000 6.013500 -Al 4.009000 4.009000 4.009000 -N 6.013500 6.013500 6.013500 -Al 6.013500 6.013500 4.009000 -N 8.018000 8.018000 6.013500 -Al 4.009000 2.004500 6.013500 -N 6.013500 4.009000 8.018000 -Al 6.013500 4.009000 6.013500 -N 8.018000 6.013500 8.018000 -Al 8.018000 6.013500 6.013500 -N 10.022500 8.018000 8.018000 -Al 0.000000 4.009000 4.009000 -N 2.004500 6.013500 6.013500 -Al 2.004500 6.013500 4.009000 -N 4.009000 8.018000 6.013500 -Al 4.009000 8.018000 4.009000 -N 6.013500 10.022500 6.013500 -Al 2.004500 4.009000 6.013500 -N 4.009000 6.013500 8.018000 -Al 4.009000 6.013500 6.013500 -N 6.013500 8.018000 8.018000 -Al 6.013500 8.018000 6.013500 -N 8.018000 10.022500 8.018000 -Al 4.009000 4.009000 8.018000 -N 6.013500 6.013500 10.022500 -Al 6.013500 6.013500 8.018000 -N 8.018000 8.018000 10.022500 -Al 8.018000 8.018000 8.018000 -N 10.022500 10.022500 10.022500 diff --git a/data/compressed_sensing/structures/RS_structures/AlP.xyz b/data/compressed_sensing/structures/RS_structures/AlP.xyz deleted file mode 100644 index 51f3b4737d49434756d3d6d91dfa413dfc30b33a..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/AlP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -P 2.499000 2.499000 2.499000 -Al 2.499000 2.499000 0.000000 -P 4.998000 4.998000 2.499000 -Al 4.998000 4.998000 0.000000 -P 7.497000 7.497000 2.499000 -Al 2.499000 0.000000 2.499000 -P 4.998000 2.499000 4.998000 -Al 4.998000 2.499000 2.499000 -P 7.497000 4.998000 4.998000 -Al 7.497000 4.998000 2.499000 -P 9.996000 7.497000 4.998000 -Al 4.998000 0.000000 4.998000 -P 7.497000 2.499000 7.497000 -Al 7.497000 2.499000 4.998000 -P 9.996000 4.998000 7.497000 -Al 9.996000 4.998000 4.998000 -P 12.495000 7.497000 7.497000 -Al 0.000000 2.499000 2.499000 -P 2.499000 4.998000 4.998000 -Al 2.499000 4.998000 2.499000 -P 4.998000 7.497000 4.998000 -Al 4.998000 7.497000 2.499000 -P 7.497000 9.996000 4.998000 -Al 2.499000 2.499000 4.998000 -P 4.998000 4.998000 7.497000 -Al 4.998000 4.998000 4.998000 -P 7.497000 7.497000 7.497000 -Al 7.497000 7.497000 4.998000 -P 9.996000 9.996000 7.497000 -Al 4.998000 2.499000 7.497000 -P 7.497000 4.998000 9.996000 -Al 7.497000 4.998000 7.497000 -P 9.996000 7.497000 9.996000 -Al 9.996000 7.497000 7.497000 -P 12.495000 9.996000 9.996000 -Al 0.000000 4.998000 4.998000 -P 2.499000 7.497000 7.497000 -Al 2.499000 7.497000 4.998000 -P 4.998000 9.996000 7.497000 -Al 4.998000 9.996000 4.998000 -P 7.497000 12.495000 7.497000 -Al 2.499000 4.998000 7.497000 -P 4.998000 7.497000 9.996000 -Al 4.998000 7.497000 7.497000 -P 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9.406500 -Ba 6.271000 12.542000 6.271000 -S 9.406500 15.677500 9.406500 -Ba 3.135500 6.271000 9.406500 -S 6.271000 9.406500 12.542000 -Ba 6.271000 9.406500 9.406500 -S 9.406500 12.542000 12.542000 -Ba 9.406500 12.542000 9.406500 -S 12.542000 15.677500 12.542000 -Ba 6.271000 6.271000 12.542000 -S 9.406500 9.406500 15.677500 -Ba 9.406500 9.406500 12.542000 -S 12.542000 12.542000 15.677500 -Ba 12.542000 12.542000 12.542000 -S 15.677500 15.677500 15.677500 diff --git a/data/compressed_sensing/structures/RS_structures/BaSe.xyz b/data/compressed_sensing/structures/RS_structures/BaSe.xyz deleted file mode 100644 index a57a650db8e65ba34a34910040d79cc0137a45c1..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BaSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ba 0.000000 0.000000 0.000000 -Se 3.237500 3.237500 3.237500 -Ba 3.237500 3.237500 0.000000 -Se 6.475000 6.475000 3.237500 -Ba 6.475000 6.475000 0.000000 -Se 9.712500 9.712500 3.237500 -Ba 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9.114000 -Be 9.114000 6.835500 6.835500 -S 11.392500 9.114000 9.114000 -Be 0.000000 4.557000 4.557000 -S 2.278500 6.835500 6.835500 -Be 2.278500 6.835500 4.557000 -S 4.557000 9.114000 6.835500 -Be 4.557000 9.114000 4.557000 -S 6.835500 11.392500 6.835500 -Be 2.278500 4.557000 6.835500 -S 4.557000 6.835500 9.114000 -Be 4.557000 6.835500 6.835500 -S 6.835500 9.114000 9.114000 -Be 6.835500 9.114000 6.835500 -S 9.114000 11.392500 9.114000 -Be 4.557000 4.557000 9.114000 -S 6.835500 6.835500 11.392500 -Be 6.835500 6.835500 9.114000 -S 9.114000 9.114000 11.392500 -Be 9.114000 9.114000 9.114000 -S 11.392500 11.392500 11.392500 diff --git a/data/compressed_sensing/structures/RS_structures/BeSe.xyz b/data/compressed_sensing/structures/RS_structures/BeSe.xyz deleted file mode 100644 index 5622bdb1d0889a55c2031aa7fd7ce4430e345433..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BeSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Be 0.000000 0.000000 0.000000 -Se 2.417000 2.417000 2.417000 -Be 2.417000 2.417000 0.000000 -Se 4.834000 4.834000 2.417000 -Be 4.834000 4.834000 0.000000 -Se 7.251000 7.251000 2.417000 -Be 2.417000 0.000000 2.417000 -Se 4.834000 2.417000 4.834000 -Be 4.834000 2.417000 2.417000 -Se 7.251000 4.834000 4.834000 -Be 7.251000 4.834000 2.417000 -Se 9.668000 7.251000 4.834000 -Be 4.834000 0.000000 4.834000 -Se 7.251000 2.417000 7.251000 -Be 7.251000 2.417000 4.834000 -Se 9.668000 4.834000 7.251000 -Be 9.668000 4.834000 4.834000 -Se 12.085000 7.251000 7.251000 -Be 0.000000 2.417000 2.417000 -Se 2.417000 4.834000 4.834000 -Be 2.417000 4.834000 2.417000 -Se 4.834000 7.251000 4.834000 -Be 4.834000 7.251000 2.417000 -Se 7.251000 9.668000 4.834000 -Be 2.417000 2.417000 4.834000 -Se 4.834000 4.834000 7.251000 -Be 4.834000 4.834000 4.834000 -Se 7.251000 7.251000 7.251000 -Be 7.251000 7.251000 4.834000 -Se 9.668000 9.668000 7.251000 -Be 4.834000 2.417000 7.251000 -Se 7.251000 4.834000 9.668000 -Be 7.251000 4.834000 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5.267000 10.534000 -Be 7.900500 5.267000 7.900500 -Te 10.534000 7.900500 10.534000 -Be 10.534000 7.900500 7.900500 -Te 13.167500 10.534000 10.534000 -Be 0.000000 5.267000 5.267000 -Te 2.633500 7.900500 7.900500 -Be 2.633500 7.900500 5.267000 -Te 5.267000 10.534000 7.900500 -Be 5.267000 10.534000 5.267000 -Te 7.900500 13.167500 7.900500 -Be 2.633500 5.267000 7.900500 -Te 5.267000 7.900500 10.534000 -Be 5.267000 7.900500 7.900500 -Te 7.900500 10.534000 10.534000 -Be 7.900500 10.534000 7.900500 -Te 10.534000 13.167500 10.534000 -Be 5.267000 5.267000 10.534000 -Te 7.900500 7.900500 13.167500 -Be 7.900500 7.900500 10.534000 -Te 10.534000 10.534000 13.167500 -Be 10.534000 10.534000 10.534000 -Te 13.167500 13.167500 13.167500 diff --git a/data/compressed_sensing/structures/RS_structures/BrCs.xyz b/data/compressed_sensing/structures/RS_structures/BrCs.xyz deleted file mode 100644 index 72cef4a3c8f3d9acf246f0ecb153c32cdfcca69e..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BrCs.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cs 0.000000 0.000000 0.000000 -Br 3.510500 3.510500 3.510500 -Cs 3.510500 3.510500 0.000000 -Br 7.021000 7.021000 3.510500 -Cs 7.021000 7.021000 0.000000 -Br 10.531500 10.531500 3.510500 -Cs 3.510500 0.000000 3.510500 -Br 7.021000 3.510500 7.021000 -Cs 7.021000 3.510500 3.510500 -Br 10.531500 7.021000 7.021000 -Cs 10.531500 7.021000 3.510500 -Br 14.042000 10.531500 7.021000 -Cs 7.021000 0.000000 7.021000 -Br 10.531500 3.510500 10.531500 -Cs 10.531500 3.510500 7.021000 -Br 14.042000 7.021000 10.531500 -Cs 14.042000 7.021000 7.021000 -Br 17.552500 10.531500 10.531500 -Cs 0.000000 3.510500 3.510500 -Br 3.510500 7.021000 7.021000 -Cs 3.510500 7.021000 3.510500 -Br 7.021000 10.531500 7.021000 -Cs 7.021000 10.531500 3.510500 -Br 10.531500 14.042000 7.021000 -Cs 3.510500 3.510500 7.021000 -Br 7.021000 7.021000 10.531500 -Cs 7.021000 7.021000 7.021000 -Br 10.531500 10.531500 10.531500 -Cs 10.531500 10.531500 7.021000 -Br 14.042000 14.042000 10.531500 -Cs 7.021000 3.510500 10.531500 -Br 10.531500 7.021000 14.042000 -Cs 10.531500 7.021000 10.531500 -Br 14.042000 10.531500 14.042000 -Cs 14.042000 10.531500 10.531500 -Br 17.552500 14.042000 14.042000 -Cs 0.000000 7.021000 7.021000 -Br 3.510500 10.531500 10.531500 -Cs 3.510500 10.531500 7.021000 -Br 7.021000 14.042000 10.531500 -Cs 7.021000 14.042000 7.021000 -Br 10.531500 17.552500 10.531500 -Cs 3.510500 7.021000 10.531500 -Br 7.021000 10.531500 14.042000 -Cs 7.021000 10.531500 10.531500 -Br 10.531500 14.042000 14.042000 -Cs 10.531500 14.042000 10.531500 -Br 14.042000 17.552500 14.042000 -Cs 7.021000 7.021000 14.042000 -Br 10.531500 10.531500 17.552500 -Cs 10.531500 10.531500 14.042000 -Br 14.042000 14.042000 17.552500 -Cs 14.042000 14.042000 14.042000 -Br 17.552500 17.552500 17.552500 diff --git a/data/compressed_sensing/structures/RS_structures/BrCu.xyz b/data/compressed_sensing/structures/RS_structures/BrCu.xyz deleted file mode 100644 index a9ae17bbd4c3a7483d6d08d9f818f47be5ab8004..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BrCu.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cu 0.000000 0.000000 0.000000 -Br 2.593000 2.593000 2.593000 -Cu 2.593000 2.593000 0.000000 -Br 5.186000 5.186000 2.593000 -Cu 5.186000 5.186000 0.000000 -Br 7.779000 7.779000 2.593000 -Cu 2.593000 0.000000 2.593000 -Br 5.186000 2.593000 5.186000 -Cu 5.186000 2.593000 2.593000 -Br 7.779000 5.186000 5.186000 -Cu 7.779000 5.186000 2.593000 -Br 10.372000 7.779000 5.186000 -Cu 5.186000 0.000000 5.186000 -Br 7.779000 2.593000 7.779000 -Cu 7.779000 2.593000 5.186000 -Br 10.372000 5.186000 7.779000 -Cu 10.372000 5.186000 5.186000 -Br 12.965000 7.779000 7.779000 -Cu 0.000000 2.593000 2.593000 -Br 2.593000 5.186000 5.186000 -Cu 2.593000 5.186000 2.593000 -Br 5.186000 7.779000 5.186000 -Cu 5.186000 7.779000 2.593000 -Br 7.779000 10.372000 5.186000 -Cu 2.593000 2.593000 5.186000 -Br 5.186000 5.186000 7.779000 -Cu 5.186000 5.186000 5.186000 -Br 7.779000 7.779000 7.779000 -Cu 7.779000 7.779000 5.186000 -Br 10.372000 10.372000 7.779000 -Cu 5.186000 2.593000 7.779000 -Br 7.779000 5.186000 10.372000 -Cu 7.779000 5.186000 7.779000 -Br 10.372000 7.779000 10.372000 -Cu 10.372000 7.779000 7.779000 -Br 12.965000 10.372000 10.372000 -Cu 0.000000 5.186000 5.186000 -Br 2.593000 7.779000 7.779000 -Cu 2.593000 7.779000 5.186000 -Br 5.186000 10.372000 7.779000 -Cu 5.186000 10.372000 5.186000 -Br 7.779000 12.965000 7.779000 -Cu 2.593000 5.186000 7.779000 -Br 5.186000 7.779000 10.372000 -Cu 5.186000 7.779000 7.779000 -Br 7.779000 10.372000 10.372000 -Cu 7.779000 10.372000 7.779000 -Br 10.372000 12.965000 10.372000 -Cu 5.186000 5.186000 10.372000 -Br 7.779000 7.779000 12.965000 -Cu 7.779000 7.779000 10.372000 -Br 10.372000 10.372000 12.965000 -Cu 10.372000 10.372000 10.372000 -Br 12.965000 12.965000 12.965000 diff --git a/data/compressed_sensing/structures/RS_structures/BrK.xyz b/data/compressed_sensing/structures/RS_structures/BrK.xyz deleted file mode 100644 index 4116163ece82dfdc39517bcfcc5632ef5a141464..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BrK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -Br 3.186000 3.186000 3.186000 -K 3.186000 3.186000 0.000000 -Br 6.372000 6.372000 3.186000 -K 6.372000 6.372000 0.000000 -Br 9.558000 9.558000 3.186000 -K 3.186000 0.000000 3.186000 -Br 6.372000 3.186000 6.372000 -K 6.372000 3.186000 3.186000 -Br 9.558000 6.372000 6.372000 -K 9.558000 6.372000 3.186000 -Br 12.744000 9.558000 6.372000 -K 6.372000 0.000000 6.372000 -Br 9.558000 3.186000 9.558000 -K 9.558000 3.186000 6.372000 -Br 12.744000 6.372000 9.558000 -K 12.744000 6.372000 6.372000 -Br 15.930000 9.558000 9.558000 -K 0.000000 3.186000 3.186000 -Br 3.186000 6.372000 6.372000 -K 3.186000 6.372000 3.186000 -Br 6.372000 9.558000 6.372000 -K 6.372000 9.558000 3.186000 -Br 9.558000 12.744000 6.372000 -K 3.186000 3.186000 6.372000 -Br 6.372000 6.372000 9.558000 -K 6.372000 6.372000 6.372000 -Br 9.558000 9.558000 9.558000 -K 9.558000 9.558000 6.372000 -Br 12.744000 12.744000 9.558000 -K 6.372000 3.186000 9.558000 -Br 9.558000 6.372000 12.744000 -K 9.558000 6.372000 9.558000 -Br 12.744000 9.558000 12.744000 -K 12.744000 9.558000 9.558000 -Br 15.930000 12.744000 12.744000 -K 0.000000 6.372000 6.372000 -Br 3.186000 9.558000 9.558000 -K 3.186000 9.558000 6.372000 -Br 6.372000 12.744000 9.558000 -K 6.372000 12.744000 6.372000 -Br 9.558000 15.930000 9.558000 -K 3.186000 6.372000 9.558000 -Br 6.372000 9.558000 12.744000 -K 6.372000 9.558000 9.558000 -Br 9.558000 12.744000 12.744000 -K 9.558000 12.744000 9.558000 -Br 12.744000 15.930000 12.744000 -K 6.372000 6.372000 12.744000 -Br 9.558000 9.558000 15.930000 -K 9.558000 9.558000 12.744000 -Br 12.744000 12.744000 15.930000 -K 12.744000 12.744000 12.744000 -Br 15.930000 15.930000 15.930000 diff --git a/data/compressed_sensing/structures/RS_structures/BrLi.xyz b/data/compressed_sensing/structures/RS_structures/BrLi.xyz deleted file mode 100644 index 594251429d6e8e2dcad7d238abd471f4210d31dd..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BrLi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -Br 2.655500 2.655500 2.655500 -Li 2.655500 2.655500 0.000000 -Br 5.311000 5.311000 2.655500 -Li 5.311000 5.311000 0.000000 -Br 7.966500 7.966500 2.655500 -Li 2.655500 0.000000 2.655500 -Br 5.311000 2.655500 5.311000 -Li 5.311000 2.655500 2.655500 -Br 7.966500 5.311000 5.311000 -Li 7.966500 5.311000 2.655500 -Br 10.622000 7.966500 5.311000 -Li 5.311000 0.000000 5.311000 -Br 7.966500 2.655500 7.966500 -Li 7.966500 2.655500 5.311000 -Br 10.622000 5.311000 7.966500 -Li 10.622000 5.311000 5.311000 -Br 13.277500 7.966500 7.966500 -Li 0.000000 2.655500 2.655500 -Br 2.655500 5.311000 5.311000 -Li 2.655500 5.311000 2.655500 -Br 5.311000 7.966500 5.311000 -Li 5.311000 7.966500 2.655500 -Br 7.966500 10.622000 5.311000 -Li 2.655500 2.655500 5.311000 -Br 5.311000 5.311000 7.966500 -Li 5.311000 5.311000 5.311000 -Br 7.966500 7.966500 7.966500 -Li 7.966500 7.966500 5.311000 -Br 10.622000 10.622000 7.966500 -Li 5.311000 2.655500 7.966500 -Br 7.966500 5.311000 10.622000 -Li 7.966500 5.311000 7.966500 -Br 10.622000 7.966500 10.622000 -Li 10.622000 7.966500 7.966500 -Br 13.277500 10.622000 10.622000 -Li 0.000000 5.311000 5.311000 -Br 2.655500 7.966500 7.966500 -Li 2.655500 7.966500 5.311000 -Br 5.311000 10.622000 7.966500 -Li 5.311000 10.622000 5.311000 -Br 7.966500 13.277500 7.966500 -Li 2.655500 5.311000 7.966500 -Br 5.311000 7.966500 10.622000 -Li 5.311000 7.966500 7.966500 -Br 7.966500 10.622000 10.622000 -Li 7.966500 10.622000 7.966500 -Br 10.622000 13.277500 10.622000 -Li 5.311000 5.311000 10.622000 -Br 7.966500 7.966500 13.277500 -Li 7.966500 7.966500 10.622000 -Br 10.622000 10.622000 13.277500 -Li 10.622000 10.622000 10.622000 -Br 13.277500 13.277500 13.277500 diff --git a/data/compressed_sensing/structures/RS_structures/BrNa.xyz b/data/compressed_sensing/structures/RS_structures/BrNa.xyz deleted file mode 100644 index c1025ec1e3b0213cf6dd8939ecbe7a144169eec5..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BrNa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -Br 2.893000 2.893000 2.893000 -Na 2.893000 2.893000 0.000000 -Br 5.786000 5.786000 2.893000 -Na 5.786000 5.786000 0.000000 -Br 8.679000 8.679000 2.893000 -Na 2.893000 0.000000 2.893000 -Br 5.786000 2.893000 5.786000 -Na 5.786000 2.893000 2.893000 -Br 8.679000 5.786000 5.786000 -Na 8.679000 5.786000 2.893000 -Br 11.572000 8.679000 5.786000 -Na 5.786000 0.000000 5.786000 -Br 8.679000 2.893000 8.679000 -Na 8.679000 2.893000 5.786000 -Br 11.572000 5.786000 8.679000 -Na 11.572000 5.786000 5.786000 -Br 14.465000 8.679000 8.679000 -Na 0.000000 2.893000 2.893000 -Br 2.893000 5.786000 5.786000 -Na 2.893000 5.786000 2.893000 -Br 5.786000 8.679000 5.786000 -Na 5.786000 8.679000 2.893000 -Br 8.679000 11.572000 5.786000 -Na 2.893000 2.893000 5.786000 -Br 5.786000 5.786000 8.679000 -Na 5.786000 5.786000 5.786000 -Br 8.679000 8.679000 8.679000 -Na 8.679000 8.679000 5.786000 -Br 11.572000 11.572000 8.679000 -Na 5.786000 2.893000 8.679000 -Br 8.679000 5.786000 11.572000 -Na 8.679000 5.786000 8.679000 -Br 11.572000 8.679000 11.572000 -Na 11.572000 8.679000 8.679000 -Br 14.465000 11.572000 11.572000 -Na 0.000000 5.786000 5.786000 -Br 2.893000 8.679000 8.679000 -Na 2.893000 8.679000 5.786000 -Br 5.786000 11.572000 8.679000 -Na 5.786000 11.572000 5.786000 -Br 8.679000 14.465000 8.679000 -Na 2.893000 5.786000 8.679000 -Br 5.786000 8.679000 11.572000 -Na 5.786000 8.679000 8.679000 -Br 8.679000 11.572000 11.572000 -Na 8.679000 11.572000 8.679000 -Br 11.572000 14.465000 11.572000 -Na 5.786000 5.786000 11.572000 -Br 8.679000 8.679000 14.465000 -Na 8.679000 8.679000 11.572000 -Br 11.572000 11.572000 14.465000 -Na 11.572000 11.572000 11.572000 -Br 14.465000 14.465000 14.465000 diff --git a/data/compressed_sensing/structures/RS_structures/BrRb.xyz b/data/compressed_sensing/structures/RS_structures/BrRb.xyz deleted file mode 100644 index a43f5210ba687f116052fcec9561461d2529d421..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/BrRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -Br 3.333500 3.333500 3.333500 -Rb 3.333500 3.333500 0.000000 -Br 6.667000 6.667000 3.333500 -Rb 6.667000 6.667000 0.000000 -Br 10.000500 10.000500 3.333500 -Rb 3.333500 0.000000 3.333500 -Br 6.667000 3.333500 6.667000 -Rb 6.667000 3.333500 3.333500 -Br 10.000500 6.667000 6.667000 -Rb 10.000500 6.667000 3.333500 -Br 13.334000 10.000500 6.667000 -Rb 6.667000 0.000000 6.667000 -Br 10.000500 3.333500 10.000500 -Rb 10.000500 3.333500 6.667000 -Br 13.334000 6.667000 10.000500 -Rb 13.334000 6.667000 6.667000 -Br 16.667500 10.000500 10.000500 -Rb 0.000000 3.333500 3.333500 -Br 3.333500 6.667000 6.667000 -Rb 3.333500 6.667000 3.333500 -Br 6.667000 10.000500 6.667000 -Rb 6.667000 10.000500 3.333500 -Br 10.000500 13.334000 6.667000 -Rb 3.333500 3.333500 6.667000 -Br 6.667000 6.667000 10.000500 -Rb 6.667000 6.667000 6.667000 -Br 10.000500 10.000500 10.000500 -Rb 10.000500 10.000500 6.667000 -Br 13.334000 13.334000 10.000500 -Rb 6.667000 3.333500 10.000500 -Br 10.000500 6.667000 13.334000 -Rb 10.000500 6.667000 10.000500 -Br 13.334000 10.000500 13.334000 -Rb 13.334000 10.000500 10.000500 -Br 16.667500 13.334000 13.334000 -Rb 0.000000 6.667000 6.667000 -Br 3.333500 10.000500 10.000500 -Rb 3.333500 10.000500 6.667000 -Br 6.667000 13.334000 10.000500 -Rb 6.667000 13.334000 6.667000 -Br 10.000500 16.667500 10.000500 -Rb 3.333500 6.667000 10.000500 -Br 6.667000 10.000500 13.334000 -Rb 6.667000 10.000500 10.000500 -Br 10.000500 13.334000 13.334000 -Rb 10.000500 13.334000 10.000500 -Br 13.334000 16.667500 13.334000 -Rb 6.667000 6.667000 13.334000 -Br 10.000500 10.000500 16.667500 -Rb 10.000500 10.000500 13.334000 -Br 13.334000 13.334000 16.667500 -Rb 13.334000 13.334000 13.334000 -Br 16.667500 16.667500 16.667500 diff --git a/data/compressed_sensing/structures/RS_structures/C2.xyz b/data/compressed_sensing/structures/RS_structures/C2.xyz deleted file mode 100644 index e3c6714e84f925482f77181e044b55b684e924f6..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/C2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -C 0.000000 0.000000 0.000000 -C 1.748000 1.748000 1.748000 -C 1.748000 1.748000 0.000000 -C 3.496000 3.496000 1.748000 -C 3.496000 3.496000 0.000000 -C 5.244000 5.244000 1.748000 -C 1.748000 0.000000 1.748000 -C 3.496000 1.748000 3.496000 -C 3.496000 1.748000 1.748000 -C 5.244000 3.496000 3.496000 -C 5.244000 3.496000 1.748000 -C 6.992000 5.244000 3.496000 -C 3.496000 0.000000 3.496000 -C 5.244000 1.748000 5.244000 -C 5.244000 1.748000 3.496000 -C 6.992000 3.496000 5.244000 -C 6.992000 3.496000 3.496000 -C 8.740000 5.244000 5.244000 -C 0.000000 1.748000 1.748000 -C 1.748000 3.496000 3.496000 -C 1.748000 3.496000 1.748000 -C 3.496000 5.244000 3.496000 -C 3.496000 5.244000 1.748000 -C 5.244000 6.992000 3.496000 -C 1.748000 1.748000 3.496000 -C 3.496000 3.496000 5.244000 -C 3.496000 3.496000 3.496000 -C 5.244000 5.244000 5.244000 -C 5.244000 5.244000 3.496000 -C 6.992000 6.992000 5.244000 -C 3.496000 1.748000 5.244000 -C 5.244000 3.496000 6.992000 -C 5.244000 3.496000 5.244000 -C 6.992000 5.244000 6.992000 -C 6.992000 5.244000 5.244000 -C 8.740000 6.992000 6.992000 -C 0.000000 3.496000 3.496000 -C 1.748000 5.244000 5.244000 -C 1.748000 5.244000 3.496000 -C 3.496000 6.992000 5.244000 -C 3.496000 6.992000 3.496000 -C 5.244000 8.740000 5.244000 -C 1.748000 3.496000 5.244000 -C 3.496000 5.244000 6.992000 -C 3.496000 5.244000 5.244000 -C 5.244000 6.992000 6.992000 -C 5.244000 6.992000 5.244000 -C 6.992000 8.740000 6.992000 -C 3.496000 3.496000 6.992000 -C 5.244000 5.244000 8.740000 -C 5.244000 5.244000 6.992000 -C 6.992000 6.992000 8.740000 -C 6.992000 6.992000 6.992000 -C 8.740000 8.740000 8.740000 diff --git a/data/compressed_sensing/structures/RS_structures/CGe.xyz b/data/compressed_sensing/structures/RS_structures/CGe.xyz deleted file mode 100644 index b0b9215850056000265f8bec61cbfa50f869b08c..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CGe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ge 0.000000 0.000000 0.000000 -C 2.156000 2.156000 2.156000 -Ge 2.156000 2.156000 0.000000 -C 4.312000 4.312000 2.156000 -Ge 4.312000 4.312000 0.000000 -C 6.468000 6.468000 2.156000 -Ge 2.156000 0.000000 2.156000 -C 4.312000 2.156000 4.312000 -Ge 4.312000 2.156000 2.156000 -C 6.468000 4.312000 4.312000 -Ge 6.468000 4.312000 2.156000 -C 8.624000 6.468000 4.312000 -Ge 4.312000 0.000000 4.312000 -C 6.468000 2.156000 6.468000 -Ge 6.468000 2.156000 4.312000 -C 8.624000 4.312000 6.468000 -Ge 8.624000 4.312000 4.312000 -C 10.780000 6.468000 6.468000 -Ge 0.000000 2.156000 2.156000 -C 2.156000 4.312000 4.312000 -Ge 2.156000 4.312000 2.156000 -C 4.312000 6.468000 4.312000 -Ge 4.312000 6.468000 2.156000 -C 6.468000 8.624000 4.312000 -Ge 2.156000 2.156000 4.312000 -C 4.312000 4.312000 6.468000 -Ge 4.312000 4.312000 4.312000 -C 6.468000 6.468000 6.468000 -Ge 6.468000 6.468000 4.312000 -C 8.624000 8.624000 6.468000 -Ge 4.312000 2.156000 6.468000 -C 6.468000 4.312000 8.624000 -Ge 6.468000 4.312000 6.468000 -C 8.624000 6.468000 8.624000 -Ge 8.624000 6.468000 6.468000 -C 10.780000 8.624000 8.624000 -Ge 0.000000 4.312000 4.312000 -C 2.156000 6.468000 6.468000 -Ge 2.156000 6.468000 4.312000 -C 4.312000 8.624000 6.468000 -Ge 4.312000 8.624000 4.312000 -C 6.468000 10.780000 6.468000 -Ge 2.156000 4.312000 6.468000 -C 4.312000 6.468000 8.624000 -Ge 4.312000 6.468000 6.468000 -C 6.468000 8.624000 8.624000 -Ge 6.468000 8.624000 6.468000 -C 8.624000 10.780000 8.624000 -Ge 4.312000 4.312000 8.624000 -C 6.468000 6.468000 10.780000 -Ge 6.468000 6.468000 8.624000 -C 8.624000 8.624000 10.780000 -Ge 8.624000 8.624000 8.624000 -C 10.780000 10.780000 10.780000 diff --git a/data/compressed_sensing/structures/RS_structures/CSi.xyz b/data/compressed_sensing/structures/RS_structures/CSi.xyz deleted file mode 100644 index 6d3372319ac0b8a561409adbe8dfbbea62bcd1ec..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CSi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Si 0.000000 0.000000 0.000000 -C 2.002500 2.002500 2.002500 -Si 2.002500 2.002500 0.000000 -C 4.005000 4.005000 2.002500 -Si 4.005000 4.005000 0.000000 -C 6.007500 6.007500 2.002500 -Si 2.002500 0.000000 2.002500 -C 4.005000 2.002500 4.005000 -Si 4.005000 2.002500 2.002500 -C 6.007500 4.005000 4.005000 -Si 6.007500 4.005000 2.002500 -C 8.010000 6.007500 4.005000 -Si 4.005000 0.000000 4.005000 -C 6.007500 2.002500 6.007500 -Si 6.007500 2.002500 4.005000 -C 8.010000 4.005000 6.007500 -Si 8.010000 4.005000 4.005000 -C 10.012500 6.007500 6.007500 -Si 0.000000 2.002500 2.002500 -C 2.002500 4.005000 4.005000 -Si 2.002500 4.005000 2.002500 -C 4.005000 6.007500 4.005000 -Si 4.005000 6.007500 2.002500 -C 6.007500 8.010000 4.005000 -Si 2.002500 2.002500 4.005000 -C 4.005000 4.005000 6.007500 -Si 4.005000 4.005000 4.005000 -C 6.007500 6.007500 6.007500 -Si 6.007500 6.007500 4.005000 -C 8.010000 8.010000 6.007500 -Si 4.005000 2.002500 6.007500 -C 6.007500 4.005000 8.010000 -Si 6.007500 4.005000 6.007500 -C 8.010000 6.007500 8.010000 -Si 8.010000 6.007500 6.007500 -C 10.012500 8.010000 8.010000 -Si 0.000000 4.005000 4.005000 -C 2.002500 6.007500 6.007500 -Si 2.002500 6.007500 4.005000 -C 4.005000 8.010000 6.007500 -Si 4.005000 8.010000 4.005000 -C 6.007500 10.012500 6.007500 -Si 2.002500 4.005000 6.007500 -C 4.005000 6.007500 8.010000 -Si 4.005000 6.007500 6.007500 -C 6.007500 8.010000 8.010000 -Si 6.007500 8.010000 6.007500 -C 8.010000 10.012500 8.010000 -Si 4.005000 4.005000 8.010000 -C 6.007500 6.007500 10.012500 -Si 6.007500 6.007500 8.010000 -C 8.010000 8.010000 10.012500 -Si 8.010000 8.010000 8.010000 -C 10.012500 10.012500 10.012500 diff --git a/data/compressed_sensing/structures/RS_structures/CSn.xyz b/data/compressed_sensing/structures/RS_structures/CSn.xyz deleted file mode 100644 index 71cbc3dd820278c8d63be4e6f5b3d60bfc90dacb..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CSn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -C 2.355000 2.355000 2.355000 -Sn 2.355000 2.355000 0.000000 -C 4.710000 4.710000 2.355000 -Sn 4.710000 4.710000 0.000000 -C 7.065000 7.065000 2.355000 -Sn 2.355000 0.000000 2.355000 -C 4.710000 2.355000 4.710000 -Sn 4.710000 2.355000 2.355000 -C 7.065000 4.710000 4.710000 -Sn 7.065000 4.710000 2.355000 -C 9.420000 7.065000 4.710000 -Sn 4.710000 0.000000 4.710000 -C 7.065000 2.355000 7.065000 -Sn 7.065000 2.355000 4.710000 -C 9.420000 4.710000 7.065000 -Sn 9.420000 4.710000 4.710000 -C 11.775000 7.065000 7.065000 -Sn 0.000000 2.355000 2.355000 -C 2.355000 4.710000 4.710000 -Sn 2.355000 4.710000 2.355000 -C 4.710000 7.065000 4.710000 -Sn 4.710000 7.065000 2.355000 -C 7.065000 9.420000 4.710000 -Sn 2.355000 2.355000 4.710000 -C 4.710000 4.710000 7.065000 -Sn 4.710000 4.710000 4.710000 -C 7.065000 7.065000 7.065000 -Sn 7.065000 7.065000 4.710000 -C 9.420000 9.420000 7.065000 -Sn 4.710000 2.355000 7.065000 -C 7.065000 4.710000 9.420000 -Sn 7.065000 4.710000 7.065000 -C 9.420000 7.065000 9.420000 -Sn 9.420000 7.065000 7.065000 -C 11.775000 9.420000 9.420000 -Sn 0.000000 4.710000 4.710000 -C 2.355000 7.065000 7.065000 -Sn 2.355000 7.065000 4.710000 -C 4.710000 9.420000 7.065000 -Sn 4.710000 9.420000 4.710000 -C 7.065000 11.775000 7.065000 -Sn 2.355000 4.710000 7.065000 -C 4.710000 7.065000 9.420000 -Sn 4.710000 7.065000 7.065000 -C 7.065000 9.420000 9.420000 -Sn 7.065000 9.420000 7.065000 -C 9.420000 11.775000 9.420000 -Sn 4.710000 4.710000 9.420000 -C 7.065000 7.065000 11.775000 -Sn 7.065000 7.065000 9.420000 -C 9.420000 9.420000 11.775000 -Sn 9.420000 9.420000 9.420000 -C 11.775000 11.775000 11.775000 diff --git a/data/compressed_sensing/structures/RS_structures/CaO.xyz b/data/compressed_sensing/structures/RS_structures/CaO.xyz deleted file mode 100644 index 5316b16a0aebbcdeae86b0759afcec0a245cbb47..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CaO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -O 2.355000 2.355000 2.355000 -Ca 2.355000 2.355000 0.000000 -O 4.710000 4.710000 2.355000 -Ca 4.710000 4.710000 0.000000 -O 7.065000 7.065000 2.355000 -Ca 2.355000 0.000000 2.355000 -O 4.710000 2.355000 4.710000 -Ca 4.710000 2.355000 2.355000 -O 7.065000 4.710000 4.710000 -Ca 7.065000 4.710000 2.355000 -O 9.420000 7.065000 4.710000 -Ca 4.710000 0.000000 4.710000 -O 7.065000 2.355000 7.065000 -Ca 7.065000 2.355000 4.710000 -O 9.420000 4.710000 7.065000 -Ca 9.420000 4.710000 4.710000 -O 11.775000 7.065000 7.065000 -Ca 0.000000 2.355000 2.355000 -O 2.355000 4.710000 4.710000 -Ca 2.355000 4.710000 2.355000 -O 4.710000 7.065000 4.710000 -Ca 4.710000 7.065000 2.355000 -O 7.065000 9.420000 4.710000 -Ca 2.355000 2.355000 4.710000 -O 4.710000 4.710000 7.065000 -Ca 4.710000 4.710000 4.710000 -O 7.065000 7.065000 7.065000 -Ca 7.065000 7.065000 4.710000 -O 9.420000 9.420000 7.065000 -Ca 4.710000 2.355000 7.065000 -O 7.065000 4.710000 9.420000 -Ca 7.065000 4.710000 7.065000 -O 9.420000 7.065000 9.420000 -Ca 9.420000 7.065000 7.065000 -O 11.775000 9.420000 9.420000 -Ca 0.000000 4.710000 4.710000 -O 2.355000 7.065000 7.065000 -Ca 2.355000 7.065000 4.710000 -O 4.710000 9.420000 7.065000 -Ca 4.710000 9.420000 4.710000 -O 7.065000 11.775000 7.065000 -Ca 2.355000 4.710000 7.065000 -O 4.710000 7.065000 9.420000 -Ca 4.710000 7.065000 7.065000 -O 7.065000 9.420000 9.420000 -Ca 7.065000 9.420000 7.065000 -O 9.420000 11.775000 9.420000 -Ca 4.710000 4.710000 9.420000 -O 7.065000 7.065000 11.775000 -Ca 7.065000 7.065000 9.420000 -O 9.420000 9.420000 11.775000 -Ca 9.420000 9.420000 9.420000 -O 11.775000 11.775000 11.775000 diff --git a/data/compressed_sensing/structures/RS_structures/CaS.xyz b/data/compressed_sensing/structures/RS_structures/CaS.xyz deleted file mode 100644 index e00e563fef2095b676e4f58a3099c4ee4c6be43f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CaS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -S 2.782500 2.782500 2.782500 -Ca 2.782500 2.782500 0.000000 -S 5.565000 5.565000 2.782500 -Ca 5.565000 5.565000 0.000000 -S 8.347500 8.347500 2.782500 -Ca 2.782500 0.000000 2.782500 -S 5.565000 2.782500 5.565000 -Ca 5.565000 2.782500 2.782500 -S 8.347500 5.565000 5.565000 -Ca 8.347500 5.565000 2.782500 -S 11.130000 8.347500 5.565000 -Ca 5.565000 0.000000 5.565000 -S 8.347500 2.782500 8.347500 -Ca 8.347500 2.782500 5.565000 -S 11.130000 5.565000 8.347500 -Ca 11.130000 5.565000 5.565000 -S 13.912500 8.347500 8.347500 -Ca 0.000000 2.782500 2.782500 -S 2.782500 5.565000 5.565000 -Ca 2.782500 5.565000 2.782500 -S 5.565000 8.347500 5.565000 -Ca 5.565000 8.347500 2.782500 -S 8.347500 11.130000 5.565000 -Ca 2.782500 2.782500 5.565000 -S 5.565000 5.565000 8.347500 -Ca 5.565000 5.565000 5.565000 -S 8.347500 8.347500 8.347500 -Ca 8.347500 8.347500 5.565000 -S 11.130000 11.130000 8.347500 -Ca 5.565000 2.782500 8.347500 -S 8.347500 5.565000 11.130000 -Ca 8.347500 5.565000 8.347500 -S 11.130000 8.347500 11.130000 -Ca 11.130000 8.347500 8.347500 -S 13.912500 11.130000 11.130000 -Ca 0.000000 5.565000 5.565000 -S 2.782500 8.347500 8.347500 -Ca 2.782500 8.347500 5.565000 -S 5.565000 11.130000 8.347500 -Ca 5.565000 11.130000 5.565000 -S 8.347500 13.912500 8.347500 -Ca 2.782500 5.565000 8.347500 -S 5.565000 8.347500 11.130000 -Ca 5.565000 8.347500 8.347500 -S 8.347500 11.130000 11.130000 -Ca 8.347500 11.130000 8.347500 -S 11.130000 13.912500 11.130000 -Ca 5.565000 5.565000 11.130000 -S 8.347500 8.347500 13.912500 -Ca 8.347500 8.347500 11.130000 -S 11.130000 11.130000 13.912500 -Ca 11.130000 11.130000 11.130000 -S 13.912500 13.912500 13.912500 diff --git a/data/compressed_sensing/structures/RS_structures/CaSe.xyz b/data/compressed_sensing/structures/RS_structures/CaSe.xyz deleted file mode 100644 index 5587f12e2c74dd1abf5afd43fe7c1157a7e3c92b..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CaSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -Se 2.896500 2.896500 2.896500 -Ca 2.896500 2.896500 0.000000 -Se 5.793000 5.793000 2.896500 -Ca 5.793000 5.793000 0.000000 -Se 8.689500 8.689500 2.896500 -Ca 2.896500 0.000000 2.896500 -Se 5.793000 2.896500 5.793000 -Ca 5.793000 2.896500 2.896500 -Se 8.689500 5.793000 5.793000 -Ca 8.689500 5.793000 2.896500 -Se 11.586000 8.689500 5.793000 -Ca 5.793000 0.000000 5.793000 -Se 8.689500 2.896500 8.689500 -Ca 8.689500 2.896500 5.793000 -Se 11.586000 5.793000 8.689500 -Ca 11.586000 5.793000 5.793000 -Se 14.482500 8.689500 8.689500 -Ca 0.000000 2.896500 2.896500 -Se 2.896500 5.793000 5.793000 -Ca 2.896500 5.793000 2.896500 -Se 5.793000 8.689500 5.793000 -Ca 5.793000 8.689500 2.896500 -Se 8.689500 11.586000 5.793000 -Ca 2.896500 2.896500 5.793000 -Se 5.793000 5.793000 8.689500 -Ca 5.793000 5.793000 5.793000 -Se 8.689500 8.689500 8.689500 -Ca 8.689500 8.689500 5.793000 -Se 11.586000 11.586000 8.689500 -Ca 5.793000 2.896500 8.689500 -Se 8.689500 5.793000 11.586000 -Ca 8.689500 5.793000 8.689500 -Se 11.586000 8.689500 11.586000 -Ca 11.586000 8.689500 8.689500 -Se 14.482500 11.586000 11.586000 -Ca 0.000000 5.793000 5.793000 -Se 2.896500 8.689500 8.689500 -Ca 2.896500 8.689500 5.793000 -Se 5.793000 11.586000 8.689500 -Ca 5.793000 11.586000 5.793000 -Se 8.689500 14.482500 8.689500 -Ca 2.896500 5.793000 8.689500 -Se 5.793000 8.689500 11.586000 -Ca 5.793000 8.689500 8.689500 -Se 8.689500 11.586000 11.586000 -Ca 8.689500 11.586000 8.689500 -Se 11.586000 14.482500 11.586000 -Ca 5.793000 5.793000 11.586000 -Se 8.689500 8.689500 14.482500 -Ca 8.689500 8.689500 11.586000 -Se 11.586000 11.586000 14.482500 -Ca 11.586000 11.586000 11.586000 -Se 14.482500 14.482500 14.482500 diff --git a/data/compressed_sensing/structures/RS_structures/CaTe.xyz b/data/compressed_sensing/structures/RS_structures/CaTe.xyz deleted file mode 100644 index 532b67d3c1c1a032fd8ecb5cb426a7f952fa69df..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CaTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -Te 3.104500 3.104500 3.104500 -Ca 3.104500 3.104500 0.000000 -Te 6.209000 6.209000 3.104500 -Ca 6.209000 6.209000 0.000000 -Te 9.313500 9.313500 3.104500 -Ca 3.104500 0.000000 3.104500 -Te 6.209000 3.104500 6.209000 -Ca 6.209000 3.104500 3.104500 -Te 9.313500 6.209000 6.209000 -Ca 9.313500 6.209000 3.104500 -Te 12.418000 9.313500 6.209000 -Ca 6.209000 0.000000 6.209000 -Te 9.313500 3.104500 9.313500 -Ca 9.313500 3.104500 6.209000 -Te 12.418000 6.209000 9.313500 -Ca 12.418000 6.209000 6.209000 -Te 15.522500 9.313500 9.313500 -Ca 0.000000 3.104500 3.104500 -Te 3.104500 6.209000 6.209000 -Ca 3.104500 6.209000 3.104500 -Te 6.209000 9.313500 6.209000 -Ca 6.209000 9.313500 3.104500 -Te 9.313500 12.418000 6.209000 -Ca 3.104500 3.104500 6.209000 -Te 6.209000 6.209000 9.313500 -Ca 6.209000 6.209000 6.209000 -Te 9.313500 9.313500 9.313500 -Ca 9.313500 9.313500 6.209000 -Te 12.418000 12.418000 9.313500 -Ca 6.209000 3.104500 9.313500 -Te 9.313500 6.209000 12.418000 -Ca 9.313500 6.209000 9.313500 -Te 12.418000 9.313500 12.418000 -Ca 12.418000 9.313500 9.313500 -Te 15.522500 12.418000 12.418000 -Ca 0.000000 6.209000 6.209000 -Te 3.104500 9.313500 9.313500 -Ca 3.104500 9.313500 6.209000 -Te 6.209000 12.418000 9.313500 -Ca 6.209000 12.418000 6.209000 -Te 9.313500 15.522500 9.313500 -Ca 3.104500 6.209000 9.313500 -Te 6.209000 9.313500 12.418000 -Ca 6.209000 9.313500 9.313500 -Te 9.313500 12.418000 12.418000 -Ca 9.313500 12.418000 9.313500 -Te 12.418000 15.522500 12.418000 -Ca 6.209000 6.209000 12.418000 -Te 9.313500 9.313500 15.522500 -Ca 9.313500 9.313500 12.418000 -Te 12.418000 12.418000 15.522500 -Ca 12.418000 12.418000 12.418000 -Te 15.522500 15.522500 15.522500 diff --git a/data/compressed_sensing/structures/RS_structures/CdO.xyz b/data/compressed_sensing/structures/RS_structures/CdO.xyz deleted file mode 100644 index a29c5695a4ef146303c18021c4392e8e50c9131f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CdO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -O 2.318000 2.318000 2.318000 -Cd 2.318000 2.318000 0.000000 -O 4.636000 4.636000 2.318000 -Cd 4.636000 4.636000 0.000000 -O 6.954000 6.954000 2.318000 -Cd 2.318000 0.000000 2.318000 -O 4.636000 2.318000 4.636000 -Cd 4.636000 2.318000 2.318000 -O 6.954000 4.636000 4.636000 -Cd 6.954000 4.636000 2.318000 -O 9.272000 6.954000 4.636000 -Cd 4.636000 0.000000 4.636000 -O 6.954000 2.318000 6.954000 -Cd 6.954000 2.318000 4.636000 -O 9.272000 4.636000 6.954000 -Cd 9.272000 4.636000 4.636000 -O 11.590000 6.954000 6.954000 -Cd 0.000000 2.318000 2.318000 -O 2.318000 4.636000 4.636000 -Cd 2.318000 4.636000 2.318000 -O 4.636000 6.954000 4.636000 -Cd 4.636000 6.954000 2.318000 -O 6.954000 9.272000 4.636000 -Cd 2.318000 2.318000 4.636000 -O 4.636000 4.636000 6.954000 -Cd 4.636000 4.636000 4.636000 -O 6.954000 6.954000 6.954000 -Cd 6.954000 6.954000 4.636000 -O 9.272000 9.272000 6.954000 -Cd 4.636000 2.318000 6.954000 -O 6.954000 4.636000 9.272000 -Cd 6.954000 4.636000 6.954000 -O 9.272000 6.954000 9.272000 -Cd 9.272000 6.954000 6.954000 -O 11.590000 9.272000 9.272000 -Cd 0.000000 4.636000 4.636000 -O 2.318000 6.954000 6.954000 -Cd 2.318000 6.954000 4.636000 -O 4.636000 9.272000 6.954000 -Cd 4.636000 9.272000 4.636000 -O 6.954000 11.590000 6.954000 -Cd 2.318000 4.636000 6.954000 -O 4.636000 6.954000 9.272000 -Cd 4.636000 6.954000 6.954000 -O 6.954000 9.272000 9.272000 -Cd 6.954000 9.272000 6.954000 -O 9.272000 11.590000 9.272000 -Cd 4.636000 4.636000 9.272000 -O 6.954000 6.954000 11.590000 -Cd 6.954000 6.954000 9.272000 -O 9.272000 9.272000 11.590000 -Cd 9.272000 9.272000 9.272000 -O 11.590000 11.590000 11.590000 diff --git a/data/compressed_sensing/structures/RS_structures/CdS.xyz b/data/compressed_sensing/structures/RS_structures/CdS.xyz deleted file mode 100644 index 8bd871a107950dd51c52251d8b66e888112b6a33..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CdS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -S 2.668500 2.668500 2.668500 -Cd 2.668500 2.668500 0.000000 -S 5.337000 5.337000 2.668500 -Cd 5.337000 5.337000 0.000000 -S 8.005500 8.005500 2.668500 -Cd 2.668500 0.000000 2.668500 -S 5.337000 2.668500 5.337000 -Cd 5.337000 2.668500 2.668500 -S 8.005500 5.337000 5.337000 -Cd 8.005500 5.337000 2.668500 -S 10.674000 8.005500 5.337000 -Cd 5.337000 0.000000 5.337000 -S 8.005500 2.668500 8.005500 -Cd 8.005500 2.668500 5.337000 -S 10.674000 5.337000 8.005500 -Cd 10.674000 5.337000 5.337000 -S 13.342500 8.005500 8.005500 -Cd 0.000000 2.668500 2.668500 -S 2.668500 5.337000 5.337000 -Cd 2.668500 5.337000 2.668500 -S 5.337000 8.005500 5.337000 -Cd 5.337000 8.005500 2.668500 -S 8.005500 10.674000 5.337000 -Cd 2.668500 2.668500 5.337000 -S 5.337000 5.337000 8.005500 -Cd 5.337000 5.337000 5.337000 -S 8.005500 8.005500 8.005500 -Cd 8.005500 8.005500 5.337000 -S 10.674000 10.674000 8.005500 -Cd 5.337000 2.668500 8.005500 -S 8.005500 5.337000 10.674000 -Cd 8.005500 5.337000 8.005500 -S 10.674000 8.005500 10.674000 -Cd 10.674000 8.005500 8.005500 -S 13.342500 10.674000 10.674000 -Cd 0.000000 5.337000 5.337000 -S 2.668500 8.005500 8.005500 -Cd 2.668500 8.005500 5.337000 -S 5.337000 10.674000 8.005500 -Cd 5.337000 10.674000 5.337000 -S 8.005500 13.342500 8.005500 -Cd 2.668500 5.337000 8.005500 -S 5.337000 8.005500 10.674000 -Cd 5.337000 8.005500 8.005500 -S 8.005500 10.674000 10.674000 -Cd 8.005500 10.674000 8.005500 -S 10.674000 13.342500 10.674000 -Cd 5.337000 5.337000 10.674000 -S 8.005500 8.005500 13.342500 -Cd 8.005500 8.005500 10.674000 -S 10.674000 10.674000 13.342500 -Cd 10.674000 10.674000 10.674000 -S 13.342500 13.342500 13.342500 diff --git a/data/compressed_sensing/structures/RS_structures/CdSe.xyz b/data/compressed_sensing/structures/RS_structures/CdSe.xyz deleted file mode 100644 index d3f5ab406fc3848c9317b3264694d3ef515ec805..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CdSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -Se 2.781500 2.781500 2.781500 -Cd 2.781500 2.781500 0.000000 -Se 5.563000 5.563000 2.781500 -Cd 5.563000 5.563000 0.000000 -Se 8.344500 8.344500 2.781500 -Cd 2.781500 0.000000 2.781500 -Se 5.563000 2.781500 5.563000 -Cd 5.563000 2.781500 2.781500 -Se 8.344500 5.563000 5.563000 -Cd 8.344500 5.563000 2.781500 -Se 11.126000 8.344500 5.563000 -Cd 5.563000 0.000000 5.563000 -Se 8.344500 2.781500 8.344500 -Cd 8.344500 2.781500 5.563000 -Se 11.126000 5.563000 8.344500 -Cd 11.126000 5.563000 5.563000 -Se 13.907500 8.344500 8.344500 -Cd 0.000000 2.781500 2.781500 -Se 2.781500 5.563000 5.563000 -Cd 2.781500 5.563000 2.781500 -Se 5.563000 8.344500 5.563000 -Cd 5.563000 8.344500 2.781500 -Se 8.344500 11.126000 5.563000 -Cd 2.781500 2.781500 5.563000 -Se 5.563000 5.563000 8.344500 -Cd 5.563000 5.563000 5.563000 -Se 8.344500 8.344500 8.344500 -Cd 8.344500 8.344500 5.563000 -Se 11.126000 11.126000 8.344500 -Cd 5.563000 2.781500 8.344500 -Se 8.344500 5.563000 11.126000 -Cd 8.344500 5.563000 8.344500 -Se 11.126000 8.344500 11.126000 -Cd 11.126000 8.344500 8.344500 -Se 13.907500 11.126000 11.126000 -Cd 0.000000 5.563000 5.563000 -Se 2.781500 8.344500 8.344500 -Cd 2.781500 8.344500 5.563000 -Se 5.563000 11.126000 8.344500 -Cd 5.563000 11.126000 5.563000 -Se 8.344500 13.907500 8.344500 -Cd 2.781500 5.563000 8.344500 -Se 5.563000 8.344500 11.126000 -Cd 5.563000 8.344500 8.344500 -Se 8.344500 11.126000 11.126000 -Cd 8.344500 11.126000 8.344500 -Se 11.126000 13.907500 11.126000 -Cd 5.563000 5.563000 11.126000 -Se 8.344500 8.344500 13.907500 -Cd 8.344500 8.344500 11.126000 -Se 11.126000 11.126000 13.907500 -Cd 11.126000 11.126000 11.126000 -Se 13.907500 13.907500 13.907500 diff --git a/data/compressed_sensing/structures/RS_structures/CdTe.xyz b/data/compressed_sensing/structures/RS_structures/CdTe.xyz deleted file mode 100644 index 894eb7fad1940f54e913a0f0839d46d7b7c3fc69..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/CdTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -Te 2.965500 2.965500 2.965500 -Cd 2.965500 2.965500 0.000000 -Te 5.931000 5.931000 2.965500 -Cd 5.931000 5.931000 0.000000 -Te 8.896500 8.896500 2.965500 -Cd 2.965500 0.000000 2.965500 -Te 5.931000 2.965500 5.931000 -Cd 5.931000 2.965500 2.965500 -Te 8.896500 5.931000 5.931000 -Cd 8.896500 5.931000 2.965500 -Te 11.862000 8.896500 5.931000 -Cd 5.931000 0.000000 5.931000 -Te 8.896500 2.965500 8.896500 -Cd 8.896500 2.965500 5.931000 -Te 11.862000 5.931000 8.896500 -Cd 11.862000 5.931000 5.931000 -Te 14.827500 8.896500 8.896500 -Cd 0.000000 2.965500 2.965500 -Te 2.965500 5.931000 5.931000 -Cd 2.965500 5.931000 2.965500 -Te 5.931000 8.896500 5.931000 -Cd 5.931000 8.896500 2.965500 -Te 8.896500 11.862000 5.931000 -Cd 2.965500 2.965500 5.931000 -Te 5.931000 5.931000 8.896500 -Cd 5.931000 5.931000 5.931000 -Te 8.896500 8.896500 8.896500 -Cd 8.896500 8.896500 5.931000 -Te 11.862000 11.862000 8.896500 -Cd 5.931000 2.965500 8.896500 -Te 8.896500 5.931000 11.862000 -Cd 8.896500 5.931000 8.896500 -Te 11.862000 8.896500 11.862000 -Cd 11.862000 8.896500 8.896500 -Te 14.827500 11.862000 11.862000 -Cd 0.000000 5.931000 5.931000 -Te 2.965500 8.896500 8.896500 -Cd 2.965500 8.896500 5.931000 -Te 5.931000 11.862000 8.896500 -Cd 5.931000 11.862000 5.931000 -Te 8.896500 14.827500 8.896500 -Cd 2.965500 5.931000 8.896500 -Te 5.931000 8.896500 11.862000 -Cd 5.931000 8.896500 8.896500 -Te 8.896500 11.862000 11.862000 -Cd 8.896500 11.862000 8.896500 -Te 11.862000 14.827500 11.862000 -Cd 5.931000 5.931000 11.862000 -Te 8.896500 8.896500 14.827500 -Cd 8.896500 8.896500 11.862000 -Te 11.862000 11.862000 14.827500 -Cd 11.862000 11.862000 11.862000 -Te 14.827500 14.827500 14.827500 diff --git a/data/compressed_sensing/structures/RS_structures/ClCs.xyz b/data/compressed_sensing/structures/RS_structures/ClCs.xyz deleted file mode 100644 index 08600a995cc11ceb736d662718b11bdb30e1d10e..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/ClCs.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cs 0.000000 0.000000 0.000000 -Cl 3.365000 3.365000 3.365000 -Cs 3.365000 3.365000 0.000000 -Cl 6.730000 6.730000 3.365000 -Cs 6.730000 6.730000 0.000000 -Cl 10.095000 10.095000 3.365000 -Cs 3.365000 0.000000 3.365000 -Cl 6.730000 3.365000 6.730000 -Cs 6.730000 3.365000 3.365000 -Cl 10.095000 6.730000 6.730000 -Cs 10.095000 6.730000 3.365000 -Cl 13.460000 10.095000 6.730000 -Cs 6.730000 0.000000 6.730000 -Cl 10.095000 3.365000 10.095000 -Cs 10.095000 3.365000 6.730000 -Cl 13.460000 6.730000 10.095000 -Cs 13.460000 6.730000 6.730000 -Cl 16.825000 10.095000 10.095000 -Cs 0.000000 3.365000 3.365000 -Cl 3.365000 6.730000 6.730000 -Cs 3.365000 6.730000 3.365000 -Cl 6.730000 10.095000 6.730000 -Cs 6.730000 10.095000 3.365000 -Cl 10.095000 13.460000 6.730000 -Cs 3.365000 3.365000 6.730000 -Cl 6.730000 6.730000 10.095000 -Cs 6.730000 6.730000 6.730000 -Cl 10.095000 10.095000 10.095000 -Cs 10.095000 10.095000 6.730000 -Cl 13.460000 13.460000 10.095000 -Cs 6.730000 3.365000 10.095000 -Cl 10.095000 6.730000 13.460000 -Cs 10.095000 6.730000 10.095000 -Cl 13.460000 10.095000 13.460000 -Cs 13.460000 10.095000 10.095000 -Cl 16.825000 13.460000 13.460000 -Cs 0.000000 6.730000 6.730000 -Cl 3.365000 10.095000 10.095000 -Cs 3.365000 10.095000 6.730000 -Cl 6.730000 13.460000 10.095000 -Cs 6.730000 13.460000 6.730000 -Cl 10.095000 16.825000 10.095000 -Cs 3.365000 6.730000 10.095000 -Cl 6.730000 10.095000 13.460000 -Cs 6.730000 10.095000 10.095000 -Cl 10.095000 13.460000 13.460000 -Cs 10.095000 13.460000 10.095000 -Cl 13.460000 16.825000 13.460000 -Cs 6.730000 6.730000 13.460000 -Cl 10.095000 10.095000 16.825000 -Cs 10.095000 10.095000 13.460000 -Cl 13.460000 13.460000 16.825000 -Cs 13.460000 13.460000 13.460000 -Cl 16.825000 16.825000 16.825000 diff --git a/data/compressed_sensing/structures/RS_structures/ClCu.xyz b/data/compressed_sensing/structures/RS_structures/ClCu.xyz deleted file mode 100644 index 1a70ed609e2b4062a4aaa259403be9695766cb4a..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/ClCu.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cu 0.000000 0.000000 0.000000 -Cl 2.464500 2.464500 2.464500 -Cu 2.464500 2.464500 0.000000 -Cl 4.929000 4.929000 2.464500 -Cu 4.929000 4.929000 0.000000 -Cl 7.393500 7.393500 2.464500 -Cu 2.464500 0.000000 2.464500 -Cl 4.929000 2.464500 4.929000 -Cu 4.929000 2.464500 2.464500 -Cl 7.393500 4.929000 4.929000 -Cu 7.393500 4.929000 2.464500 -Cl 9.858000 7.393500 4.929000 -Cu 4.929000 0.000000 4.929000 -Cl 7.393500 2.464500 7.393500 -Cu 7.393500 2.464500 4.929000 -Cl 9.858000 4.929000 7.393500 -Cu 9.858000 4.929000 4.929000 -Cl 12.322500 7.393500 7.393500 -Cu 0.000000 2.464500 2.464500 -Cl 2.464500 4.929000 4.929000 -Cu 2.464500 4.929000 2.464500 -Cl 4.929000 7.393500 4.929000 -Cu 4.929000 7.393500 2.464500 -Cl 7.393500 9.858000 4.929000 -Cu 2.464500 2.464500 4.929000 -Cl 4.929000 4.929000 7.393500 -Cu 4.929000 4.929000 4.929000 -Cl 7.393500 7.393500 7.393500 -Cu 7.393500 7.393500 4.929000 -Cl 9.858000 9.858000 7.393500 -Cu 4.929000 2.464500 7.393500 -Cl 7.393500 4.929000 9.858000 -Cu 7.393500 4.929000 7.393500 -Cl 9.858000 7.393500 9.858000 -Cu 9.858000 7.393500 7.393500 -Cl 12.322500 9.858000 9.858000 -Cu 0.000000 4.929000 4.929000 -Cl 2.464500 7.393500 7.393500 -Cu 2.464500 7.393500 4.929000 -Cl 4.929000 9.858000 7.393500 -Cu 4.929000 9.858000 4.929000 -Cl 7.393500 12.322500 7.393500 -Cu 2.464500 4.929000 7.393500 -Cl 4.929000 7.393500 9.858000 -Cu 4.929000 7.393500 7.393500 -Cl 7.393500 9.858000 9.858000 -Cu 7.393500 9.858000 7.393500 -Cl 9.858000 12.322500 9.858000 -Cu 4.929000 4.929000 9.858000 -Cl 7.393500 7.393500 12.322500 -Cu 7.393500 7.393500 9.858000 -Cl 9.858000 9.858000 12.322500 -Cu 9.858000 9.858000 9.858000 -Cl 12.322500 12.322500 12.322500 diff --git a/data/compressed_sensing/structures/RS_structures/ClK.xyz b/data/compressed_sensing/structures/RS_structures/ClK.xyz deleted file mode 100644 index 9e91717eb8e5e95aba0aa21d17c1877800aea4f9..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/ClK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -Cl 3.039000 3.039000 3.039000 -K 3.039000 3.039000 0.000000 -Cl 6.078000 6.078000 3.039000 -K 6.078000 6.078000 0.000000 -Cl 9.117000 9.117000 3.039000 -K 3.039000 0.000000 3.039000 -Cl 6.078000 3.039000 6.078000 -K 6.078000 3.039000 3.039000 -Cl 9.117000 6.078000 6.078000 -K 9.117000 6.078000 3.039000 -Cl 12.156000 9.117000 6.078000 -K 6.078000 0.000000 6.078000 -Cl 9.117000 3.039000 9.117000 -K 9.117000 3.039000 6.078000 -Cl 12.156000 6.078000 9.117000 -K 12.156000 6.078000 6.078000 -Cl 15.195000 9.117000 9.117000 -K 0.000000 3.039000 3.039000 -Cl 3.039000 6.078000 6.078000 -K 3.039000 6.078000 3.039000 -Cl 6.078000 9.117000 6.078000 -K 6.078000 9.117000 3.039000 -Cl 9.117000 12.156000 6.078000 -K 3.039000 3.039000 6.078000 -Cl 6.078000 6.078000 9.117000 -K 6.078000 6.078000 6.078000 -Cl 9.117000 9.117000 9.117000 -K 9.117000 9.117000 6.078000 -Cl 12.156000 12.156000 9.117000 -K 6.078000 3.039000 9.117000 -Cl 9.117000 6.078000 12.156000 -K 9.117000 6.078000 9.117000 -Cl 12.156000 9.117000 12.156000 -K 12.156000 9.117000 9.117000 -Cl 15.195000 12.156000 12.156000 -K 0.000000 6.078000 6.078000 -Cl 3.039000 9.117000 9.117000 -K 3.039000 9.117000 6.078000 -Cl 6.078000 12.156000 9.117000 -K 6.078000 12.156000 6.078000 -Cl 9.117000 15.195000 9.117000 -K 3.039000 6.078000 9.117000 -Cl 6.078000 9.117000 12.156000 -K 6.078000 9.117000 9.117000 -Cl 9.117000 12.156000 12.156000 -K 9.117000 12.156000 9.117000 -Cl 12.156000 15.195000 12.156000 -K 6.078000 6.078000 12.156000 -Cl 9.117000 9.117000 15.195000 -K 9.117000 9.117000 12.156000 -Cl 12.156000 12.156000 15.195000 -K 12.156000 12.156000 12.156000 -Cl 15.195000 15.195000 15.195000 diff --git a/data/compressed_sensing/structures/RS_structures/ClLi.xyz b/data/compressed_sensing/structures/RS_structures/ClLi.xyz deleted file mode 100644 index c292652f9bf5966ae21811714dc7afc68d0558c8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/ClLi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -Cl 2.483000 2.483000 2.483000 -Li 2.483000 2.483000 0.000000 -Cl 4.966000 4.966000 2.483000 -Li 4.966000 4.966000 0.000000 -Cl 7.449000 7.449000 2.483000 -Li 2.483000 0.000000 2.483000 -Cl 4.966000 2.483000 4.966000 -Li 4.966000 2.483000 2.483000 -Cl 7.449000 4.966000 4.966000 -Li 7.449000 4.966000 2.483000 -Cl 9.932000 7.449000 4.966000 -Li 4.966000 0.000000 4.966000 -Cl 7.449000 2.483000 7.449000 -Li 7.449000 2.483000 4.966000 -Cl 9.932000 4.966000 7.449000 -Li 9.932000 4.966000 4.966000 -Cl 12.415000 7.449000 7.449000 -Li 0.000000 2.483000 2.483000 -Cl 2.483000 4.966000 4.966000 -Li 2.483000 4.966000 2.483000 -Cl 4.966000 7.449000 4.966000 -Li 4.966000 7.449000 2.483000 -Cl 7.449000 9.932000 4.966000 -Li 2.483000 2.483000 4.966000 -Cl 4.966000 4.966000 7.449000 -Li 4.966000 4.966000 4.966000 -Cl 7.449000 7.449000 7.449000 -Li 7.449000 7.449000 4.966000 -Cl 9.932000 9.932000 7.449000 -Li 4.966000 2.483000 7.449000 -Cl 7.449000 4.966000 9.932000 -Li 7.449000 4.966000 7.449000 -Cl 9.932000 7.449000 9.932000 -Li 9.932000 7.449000 7.449000 -Cl 12.415000 9.932000 9.932000 -Li 0.000000 4.966000 4.966000 -Cl 2.483000 7.449000 7.449000 -Li 2.483000 7.449000 4.966000 -Cl 4.966000 9.932000 7.449000 -Li 4.966000 9.932000 4.966000 -Cl 7.449000 12.415000 7.449000 -Li 2.483000 4.966000 7.449000 -Cl 4.966000 7.449000 9.932000 -Li 4.966000 7.449000 7.449000 -Cl 7.449000 9.932000 9.932000 -Li 7.449000 9.932000 7.449000 -Cl 9.932000 12.415000 9.932000 -Li 4.966000 4.966000 9.932000 -Cl 7.449000 7.449000 12.415000 -Li 7.449000 7.449000 9.932000 -Cl 9.932000 9.932000 12.415000 -Li 9.932000 9.932000 9.932000 -Cl 12.415000 12.415000 12.415000 diff --git a/data/compressed_sensing/structures/RS_structures/ClNa.xyz b/data/compressed_sensing/structures/RS_structures/ClNa.xyz deleted file mode 100644 index aa9fcabd7aac24e8450d9c9b349e796838e21e91..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/ClNa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -Cl 2.732500 2.732500 2.732500 -Na 2.732500 2.732500 0.000000 -Cl 5.465000 5.465000 2.732500 -Na 5.465000 5.465000 0.000000 -Cl 8.197500 8.197500 2.732500 -Na 2.732500 0.000000 2.732500 -Cl 5.465000 2.732500 5.465000 -Na 5.465000 2.732500 2.732500 -Cl 8.197500 5.465000 5.465000 -Na 8.197500 5.465000 2.732500 -Cl 10.930000 8.197500 5.465000 -Na 5.465000 0.000000 5.465000 -Cl 8.197500 2.732500 8.197500 -Na 8.197500 2.732500 5.465000 -Cl 10.930000 5.465000 8.197500 -Na 10.930000 5.465000 5.465000 -Cl 13.662500 8.197500 8.197500 -Na 0.000000 2.732500 2.732500 -Cl 2.732500 5.465000 5.465000 -Na 2.732500 5.465000 2.732500 -Cl 5.465000 8.197500 5.465000 -Na 5.465000 8.197500 2.732500 -Cl 8.197500 10.930000 5.465000 -Na 2.732500 2.732500 5.465000 -Cl 5.465000 5.465000 8.197500 -Na 5.465000 5.465000 5.465000 -Cl 8.197500 8.197500 8.197500 -Na 8.197500 8.197500 5.465000 -Cl 10.930000 10.930000 8.197500 -Na 5.465000 2.732500 8.197500 -Cl 8.197500 5.465000 10.930000 -Na 8.197500 5.465000 8.197500 -Cl 10.930000 8.197500 10.930000 -Na 10.930000 8.197500 8.197500 -Cl 13.662500 10.930000 10.930000 -Na 0.000000 5.465000 5.465000 -Cl 2.732500 8.197500 8.197500 -Na 2.732500 8.197500 5.465000 -Cl 5.465000 10.930000 8.197500 -Na 5.465000 10.930000 5.465000 -Cl 8.197500 13.662500 8.197500 -Na 2.732500 5.465000 8.197500 -Cl 5.465000 8.197500 10.930000 -Na 5.465000 8.197500 8.197500 -Cl 8.197500 10.930000 10.930000 -Na 8.197500 10.930000 8.197500 -Cl 10.930000 13.662500 10.930000 -Na 5.465000 5.465000 10.930000 -Cl 8.197500 8.197500 13.662500 -Na 8.197500 8.197500 10.930000 -Cl 10.930000 10.930000 13.662500 -Na 10.930000 10.930000 10.930000 -Cl 13.662500 13.662500 13.662500 diff --git a/data/compressed_sensing/structures/RS_structures/ClRb.xyz b/data/compressed_sensing/structures/RS_structures/ClRb.xyz deleted file mode 100644 index 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9.008000 -F 9.008000 9.008000 11.260000 -Na 9.008000 9.008000 9.008000 -F 11.260000 11.260000 11.260000 diff --git a/data/compressed_sensing/structures/RS_structures/FRb.xyz b/data/compressed_sensing/structures/RS_structures/FRb.xyz deleted file mode 100644 index acd21e18fdfae5a8d3fd08f567f1c35b8d58df26..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/FRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -F 2.732000 2.732000 2.732000 -Rb 2.732000 2.732000 0.000000 -F 5.464000 5.464000 2.732000 -Rb 5.464000 5.464000 0.000000 -F 8.196000 8.196000 2.732000 -Rb 2.732000 0.000000 2.732000 -F 5.464000 2.732000 5.464000 -Rb 5.464000 2.732000 2.732000 -F 8.196000 5.464000 5.464000 -Rb 8.196000 5.464000 2.732000 -F 10.928000 8.196000 5.464000 -Rb 5.464000 0.000000 5.464000 -F 8.196000 2.732000 8.196000 -Rb 8.196000 2.732000 5.464000 -F 10.928000 5.464000 8.196000 -Rb 10.928000 5.464000 5.464000 -F 13.660000 8.196000 8.196000 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-Rb 8.196000 8.196000 10.928000 -F 10.928000 10.928000 13.660000 -Rb 10.928000 10.928000 10.928000 -F 13.660000 13.660000 13.660000 diff --git a/data/compressed_sensing/structures/RS_structures/GaN.xyz b/data/compressed_sensing/structures/RS_structures/GaN.xyz deleted file mode 100644 index 8f4b70eca34d4d147eec20b7a6c923c085f275aa..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/GaN.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -N 2.091000 2.091000 2.091000 -Ga 2.091000 2.091000 0.000000 -N 4.182000 4.182000 2.091000 -Ga 4.182000 4.182000 0.000000 -N 6.273000 6.273000 2.091000 -Ga 2.091000 0.000000 2.091000 -N 4.182000 2.091000 4.182000 -Ga 4.182000 2.091000 2.091000 -N 6.273000 4.182000 4.182000 -Ga 6.273000 4.182000 2.091000 -N 8.364000 6.273000 4.182000 -Ga 4.182000 0.000000 4.182000 -N 6.273000 2.091000 6.273000 -Ga 6.273000 2.091000 4.182000 -N 8.364000 4.182000 6.273000 -Ga 8.364000 4.182000 4.182000 -N 10.455000 6.273000 6.273000 -Ga 0.000000 2.091000 2.091000 -N 2.091000 4.182000 4.182000 -Ga 2.091000 4.182000 2.091000 -N 4.182000 6.273000 4.182000 -Ga 4.182000 6.273000 2.091000 -N 6.273000 8.364000 4.182000 -Ga 2.091000 2.091000 4.182000 -N 4.182000 4.182000 6.273000 -Ga 4.182000 4.182000 4.182000 -N 6.273000 6.273000 6.273000 -Ga 6.273000 6.273000 4.182000 -N 8.364000 8.364000 6.273000 -Ga 4.182000 2.091000 6.273000 -N 6.273000 4.182000 8.364000 -Ga 6.273000 4.182000 6.273000 -N 8.364000 6.273000 8.364000 -Ga 8.364000 6.273000 6.273000 -N 10.455000 8.364000 8.364000 -Ga 0.000000 4.182000 4.182000 -N 2.091000 6.273000 6.273000 -Ga 2.091000 6.273000 4.182000 -N 4.182000 8.364000 6.273000 -Ga 4.182000 8.364000 4.182000 -N 6.273000 10.455000 6.273000 -Ga 2.091000 4.182000 6.273000 -N 4.182000 6.273000 8.364000 -Ga 4.182000 6.273000 6.273000 -N 6.273000 8.364000 8.364000 -Ga 6.273000 8.364000 6.273000 -N 8.364000 10.455000 8.364000 -Ga 4.182000 4.182000 8.364000 -N 6.273000 6.273000 10.455000 -Ga 6.273000 6.273000 8.364000 -N 8.364000 8.364000 10.455000 -Ga 8.364000 8.364000 8.364000 -N 10.455000 10.455000 10.455000 diff --git a/data/compressed_sensing/structures/RS_structures/GaP.xyz b/data/compressed_sensing/structures/RS_structures/GaP.xyz deleted file mode 100644 index d53d8ea464181b84de160683f91dfe460337a143..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/GaP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -P 2.524500 2.524500 2.524500 -Ga 2.524500 2.524500 0.000000 -P 5.049000 5.049000 2.524500 -Ga 5.049000 5.049000 0.000000 -P 7.573500 7.573500 2.524500 -Ga 2.524500 0.000000 2.524500 -P 5.049000 2.524500 5.049000 -Ga 5.049000 2.524500 2.524500 -P 7.573500 5.049000 5.049000 -Ga 7.573500 5.049000 2.524500 -P 10.098000 7.573500 5.049000 -Ga 5.049000 0.000000 5.049000 -P 7.573500 2.524500 7.573500 -Ga 7.573500 2.524500 5.049000 -P 10.098000 5.049000 7.573500 -Ga 10.098000 5.049000 5.049000 -P 12.622500 7.573500 7.573500 -Ga 0.000000 2.524500 2.524500 -P 2.524500 5.049000 5.049000 -Ga 2.524500 5.049000 2.524500 -P 5.049000 7.573500 5.049000 -Ga 5.049000 7.573500 2.524500 -P 7.573500 10.098000 5.049000 -Ga 2.524500 2.524500 5.049000 -P 5.049000 5.049000 7.573500 -Ga 5.049000 5.049000 5.049000 -P 7.573500 7.573500 7.573500 -Ga 7.573500 7.573500 5.049000 -P 10.098000 10.098000 7.573500 -Ga 5.049000 2.524500 7.573500 -P 7.573500 5.049000 10.098000 -Ga 7.573500 5.049000 7.573500 -P 10.098000 7.573500 10.098000 -Ga 10.098000 7.573500 7.573500 -P 12.622500 10.098000 10.098000 -Ga 0.000000 5.049000 5.049000 -P 2.524500 7.573500 7.573500 -Ga 2.524500 7.573500 5.049000 -P 5.049000 10.098000 7.573500 -Ga 5.049000 10.098000 5.049000 -P 7.573500 12.622500 7.573500 -Ga 2.524500 5.049000 7.573500 -P 5.049000 7.573500 10.098000 -Ga 5.049000 7.573500 7.573500 -P 7.573500 10.098000 10.098000 -Ga 7.573500 10.098000 7.573500 -P 10.098000 12.622500 10.098000 -Ga 5.049000 5.049000 10.098000 -P 7.573500 7.573500 12.622500 -Ga 7.573500 7.573500 10.098000 -P 10.098000 10.098000 12.622500 -Ga 10.098000 10.098000 10.098000 -P 12.622500 12.622500 12.622500 diff --git a/data/compressed_sensing/structures/RS_structures/GaSb.xyz b/data/compressed_sensing/structures/RS_structures/GaSb.xyz deleted file mode 100644 index 8d4fa9fdb01abf9a2db06acaf486391ade730306..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/GaSb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -Sb 2.822500 2.822500 2.822500 -Ga 2.822500 2.822500 0.000000 -Sb 5.645000 5.645000 2.822500 -Ga 5.645000 5.645000 0.000000 -Sb 8.467500 8.467500 2.822500 -Ga 2.822500 0.000000 2.822500 -Sb 5.645000 2.822500 5.645000 -Ga 5.645000 2.822500 2.822500 -Sb 8.467500 5.645000 5.645000 -Ga 8.467500 5.645000 2.822500 -Sb 11.290000 8.467500 5.645000 -Ga 5.645000 0.000000 5.645000 -Sb 8.467500 2.822500 8.467500 -Ga 8.467500 2.822500 5.645000 -Sb 11.290000 5.645000 8.467500 -Ga 11.290000 5.645000 5.645000 -Sb 14.112500 8.467500 8.467500 -Ga 0.000000 2.822500 2.822500 -Sb 2.822500 5.645000 5.645000 -Ga 2.822500 5.645000 2.822500 -Sb 5.645000 8.467500 5.645000 -Ga 5.645000 8.467500 2.822500 -Sb 8.467500 11.290000 5.645000 -Ga 2.822500 2.822500 5.645000 -Sb 5.645000 5.645000 8.467500 -Ga 5.645000 5.645000 5.645000 -Sb 8.467500 8.467500 8.467500 -Ga 8.467500 8.467500 5.645000 -Sb 11.290000 11.290000 8.467500 -Ga 5.645000 2.822500 8.467500 -Sb 8.467500 5.645000 11.290000 -Ga 8.467500 5.645000 8.467500 -Sb 11.290000 8.467500 11.290000 -Ga 11.290000 8.467500 8.467500 -Sb 14.112500 11.290000 11.290000 -Ga 0.000000 5.645000 5.645000 -Sb 2.822500 8.467500 8.467500 -Ga 2.822500 8.467500 5.645000 -Sb 5.645000 11.290000 8.467500 -Ga 5.645000 11.290000 5.645000 -Sb 8.467500 14.112500 8.467500 -Ga 2.822500 5.645000 8.467500 -Sb 5.645000 8.467500 11.290000 -Ga 5.645000 8.467500 8.467500 -Sb 8.467500 11.290000 11.290000 -Ga 8.467500 11.290000 8.467500 -Sb 11.290000 14.112500 11.290000 -Ga 5.645000 5.645000 11.290000 -Sb 8.467500 8.467500 14.112500 -Ga 8.467500 8.467500 11.290000 -Sb 11.290000 11.290000 14.112500 -Ga 11.290000 11.290000 11.290000 -Sb 14.112500 14.112500 14.112500 diff --git a/data/compressed_sensing/structures/RS_structures/Ge2.xyz b/data/compressed_sensing/structures/RS_structures/Ge2.xyz deleted file mode 100644 index fad67622703bc577dcaf3c03708c7fe902cff2dd..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/Ge2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ge 0.000000 0.000000 0.000000 -Ge 2.645500 2.645500 2.645500 -Ge 2.645500 2.645500 0.000000 -Ge 5.291000 5.291000 2.645500 -Ge 5.291000 5.291000 0.000000 -Ge 7.936500 7.936500 2.645500 -Ge 2.645500 0.000000 2.645500 -Ge 5.291000 2.645500 5.291000 -Ge 5.291000 2.645500 2.645500 -Ge 7.936500 5.291000 5.291000 -Ge 7.936500 5.291000 2.645500 -Ge 10.582000 7.936500 5.291000 -Ge 5.291000 0.000000 5.291000 -Ge 7.936500 2.645500 7.936500 -Ge 7.936500 2.645500 5.291000 -Ge 10.582000 5.291000 7.936500 -Ge 10.582000 5.291000 5.291000 -Ge 13.227500 7.936500 7.936500 -Ge 0.000000 2.645500 2.645500 -Ge 2.645500 5.291000 5.291000 -Ge 2.645500 5.291000 2.645500 -Ge 5.291000 7.936500 5.291000 -Ge 5.291000 7.936500 2.645500 -Ge 7.936500 10.582000 5.291000 -Ge 2.645500 2.645500 5.291000 -Ge 5.291000 5.291000 7.936500 -Ge 5.291000 5.291000 5.291000 -Ge 7.936500 7.936500 7.936500 -Ge 7.936500 7.936500 5.291000 -Ge 10.582000 10.582000 7.936500 -Ge 5.291000 2.645500 7.936500 -Ge 7.936500 5.291000 10.582000 -Ge 7.936500 5.291000 7.936500 -Ge 10.582000 7.936500 10.582000 -Ge 10.582000 7.936500 7.936500 -Ge 13.227500 10.582000 10.582000 -Ge 0.000000 5.291000 5.291000 -Ge 2.645500 7.936500 7.936500 -Ge 2.645500 7.936500 5.291000 -Ge 5.291000 10.582000 7.936500 -Ge 5.291000 10.582000 5.291000 -Ge 7.936500 13.227500 7.936500 -Ge 2.645500 5.291000 7.936500 -Ge 5.291000 7.936500 10.582000 -Ge 5.291000 7.936500 7.936500 -Ge 7.936500 10.582000 10.582000 -Ge 7.936500 10.582000 7.936500 -Ge 10.582000 13.227500 10.582000 -Ge 5.291000 5.291000 10.582000 -Ge 7.936500 7.936500 13.227500 -Ge 7.936500 7.936500 10.582000 -Ge 10.582000 10.582000 13.227500 -Ge 10.582000 10.582000 10.582000 -Ge 13.227500 13.227500 13.227500 diff --git a/data/compressed_sensing/structures/RS_structures/GeSi.xyz b/data/compressed_sensing/structures/RS_structures/GeSi.xyz deleted file mode 100644 index 1008cfa1ee507c9d857172c46e9dec6a8acbfb0b..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/GeSi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ge 0.000000 0.000000 0.000000 -Si 2.570000 2.570000 2.570000 -Ge 2.570000 2.570000 0.000000 -Si 5.140000 5.140000 2.570000 -Ge 5.140000 5.140000 0.000000 -Si 7.710000 7.710000 2.570000 -Ge 2.570000 0.000000 2.570000 -Si 5.140000 2.570000 5.140000 -Ge 5.140000 2.570000 2.570000 -Si 7.710000 5.140000 5.140000 -Ge 7.710000 5.140000 2.570000 -Si 10.280000 7.710000 5.140000 -Ge 5.140000 0.000000 5.140000 -Si 7.710000 2.570000 7.710000 -Ge 7.710000 2.570000 5.140000 -Si 10.280000 5.140000 7.710000 -Ge 10.280000 5.140000 5.140000 -Si 12.850000 7.710000 7.710000 -Ge 0.000000 2.570000 2.570000 -Si 2.570000 5.140000 5.140000 -Ge 2.570000 5.140000 2.570000 -Si 5.140000 7.710000 5.140000 -Ge 5.140000 7.710000 2.570000 -Si 7.710000 10.280000 5.140000 -Ge 2.570000 2.570000 5.140000 -Si 5.140000 5.140000 7.710000 -Ge 5.140000 5.140000 5.140000 -Si 7.710000 7.710000 7.710000 -Ge 7.710000 7.710000 5.140000 -Si 10.280000 10.280000 7.710000 -Ge 5.140000 2.570000 7.710000 -Si 7.710000 5.140000 10.280000 -Ge 7.710000 5.140000 7.710000 -Si 10.280000 7.710000 10.280000 -Ge 10.280000 7.710000 7.710000 -Si 12.850000 10.280000 10.280000 -Ge 0.000000 5.140000 5.140000 -Si 2.570000 7.710000 7.710000 -Ge 2.570000 7.710000 5.140000 -Si 5.140000 10.280000 7.710000 -Ge 5.140000 10.280000 5.140000 -Si 7.710000 12.850000 7.710000 -Ge 2.570000 5.140000 7.710000 -Si 5.140000 7.710000 10.280000 -Ge 5.140000 7.710000 7.710000 -Si 7.710000 10.280000 10.280000 -Ge 7.710000 10.280000 7.710000 -Si 10.280000 12.850000 10.280000 -Ge 5.140000 5.140000 10.280000 -Si 7.710000 7.710000 12.850000 -Ge 7.710000 7.710000 10.280000 -Si 10.280000 10.280000 12.850000 -Ge 10.280000 10.280000 10.280000 -Si 12.850000 12.850000 12.850000 diff --git a/data/compressed_sensing/structures/RS_structures/GeSn.xyz b/data/compressed_sensing/structures/RS_structures/GeSn.xyz deleted file mode 100644 index b280faa57e99c09cf1bf9c2b06d8582b878173fc..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/GeSn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -Ge 2.828000 2.828000 2.828000 -Sn 2.828000 2.828000 0.000000 -Ge 5.656000 5.656000 2.828000 -Sn 5.656000 5.656000 0.000000 -Ge 8.484000 8.484000 2.828000 -Sn 2.828000 0.000000 2.828000 -Ge 5.656000 2.828000 5.656000 -Sn 5.656000 2.828000 2.828000 -Ge 8.484000 5.656000 5.656000 -Sn 8.484000 5.656000 2.828000 -Ge 11.312000 8.484000 5.656000 -Sn 5.656000 0.000000 5.656000 -Ge 8.484000 2.828000 8.484000 -Sn 8.484000 2.828000 5.656000 -Ge 11.312000 5.656000 8.484000 -Sn 11.312000 5.656000 5.656000 -Ge 14.140000 8.484000 8.484000 -Sn 0.000000 2.828000 2.828000 -Ge 2.828000 5.656000 5.656000 -Sn 2.828000 5.656000 2.828000 -Ge 5.656000 8.484000 5.656000 -Sn 5.656000 8.484000 2.828000 -Ge 8.484000 11.312000 5.656000 -Sn 2.828000 2.828000 5.656000 -Ge 5.656000 5.656000 8.484000 -Sn 5.656000 5.656000 5.656000 -Ge 8.484000 8.484000 8.484000 -Sn 8.484000 8.484000 5.656000 -Ge 11.312000 11.312000 8.484000 -Sn 5.656000 2.828000 8.484000 -Ge 8.484000 5.656000 11.312000 -Sn 8.484000 5.656000 8.484000 -Ge 11.312000 8.484000 11.312000 -Sn 11.312000 8.484000 8.484000 -Ge 14.140000 11.312000 11.312000 -Sn 0.000000 5.656000 5.656000 -Ge 2.828000 8.484000 8.484000 -Sn 2.828000 8.484000 5.656000 -Ge 5.656000 11.312000 8.484000 -Sn 5.656000 11.312000 5.656000 -Ge 8.484000 14.140000 8.484000 -Sn 2.828000 5.656000 8.484000 -Ge 5.656000 8.484000 11.312000 -Sn 5.656000 8.484000 8.484000 -Ge 8.484000 11.312000 11.312000 -Sn 8.484000 11.312000 8.484000 -Ge 11.312000 14.140000 11.312000 -Sn 5.656000 5.656000 11.312000 -Ge 8.484000 8.484000 14.140000 -Sn 8.484000 8.484000 11.312000 -Ge 11.312000 11.312000 14.140000 -Sn 11.312000 11.312000 11.312000 -Ge 14.140000 14.140000 14.140000 diff --git a/data/compressed_sensing/structures/RS_structures/IK.xyz b/data/compressed_sensing/structures/RS_structures/IK.xyz deleted file mode 100644 index 6fab258e38a403771e4bcb0745e6f61af0924045..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/IK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -I 3.408000 3.408000 3.408000 -K 3.408000 3.408000 0.000000 -I 6.816000 6.816000 3.408000 -K 6.816000 6.816000 0.000000 -I 10.224000 10.224000 3.408000 -K 3.408000 0.000000 3.408000 -I 6.816000 3.408000 6.816000 -K 6.816000 3.408000 3.408000 -I 10.224000 6.816000 6.816000 -K 10.224000 6.816000 3.408000 -I 13.632000 10.224000 6.816000 -K 6.816000 0.000000 6.816000 -I 10.224000 3.408000 10.224000 -K 10.224000 3.408000 6.816000 -I 13.632000 6.816000 10.224000 -K 13.632000 6.816000 6.816000 -I 17.040000 10.224000 10.224000 -K 0.000000 3.408000 3.408000 -I 3.408000 6.816000 6.816000 -K 3.408000 6.816000 3.408000 -I 6.816000 10.224000 6.816000 -K 6.816000 10.224000 3.408000 -I 10.224000 13.632000 6.816000 -K 3.408000 3.408000 6.816000 -I 6.816000 6.816000 10.224000 -K 6.816000 6.816000 6.816000 -I 10.224000 10.224000 10.224000 -K 10.224000 10.224000 6.816000 -I 13.632000 13.632000 10.224000 -K 6.816000 3.408000 10.224000 -I 10.224000 6.816000 13.632000 -K 10.224000 6.816000 10.224000 -I 13.632000 10.224000 13.632000 -K 13.632000 10.224000 10.224000 -I 17.040000 13.632000 13.632000 -K 0.000000 6.816000 6.816000 -I 3.408000 10.224000 10.224000 -K 3.408000 10.224000 6.816000 -I 6.816000 13.632000 10.224000 -K 6.816000 13.632000 6.816000 -I 10.224000 17.040000 10.224000 -K 3.408000 6.816000 10.224000 -I 6.816000 10.224000 13.632000 -K 6.816000 10.224000 10.224000 -I 10.224000 13.632000 13.632000 -K 10.224000 13.632000 10.224000 -I 13.632000 17.040000 13.632000 -K 6.816000 6.816000 13.632000 -I 10.224000 10.224000 17.040000 -K 10.224000 10.224000 13.632000 -I 13.632000 13.632000 17.040000 -K 13.632000 13.632000 13.632000 -I 17.040000 17.040000 17.040000 diff --git a/data/compressed_sensing/structures/RS_structures/ILi.xyz b/data/compressed_sensing/structures/RS_structures/ILi.xyz deleted file mode 100644 index bd394cd066dbafc0223d8150df7fb6cfcc0ac7e8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/ILi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -I 2.902500 2.902500 2.902500 -Li 2.902500 2.902500 0.000000 -I 5.805000 5.805000 2.902500 -Li 5.805000 5.805000 0.000000 -I 8.707500 8.707500 2.902500 -Li 2.902500 0.000000 2.902500 -I 5.805000 2.902500 5.805000 -Li 5.805000 2.902500 2.902500 -I 8.707500 5.805000 5.805000 -Li 8.707500 5.805000 2.902500 -I 11.610000 8.707500 5.805000 -Li 5.805000 0.000000 5.805000 -I 8.707500 2.902500 8.707500 -Li 8.707500 2.902500 5.805000 -I 11.610000 5.805000 8.707500 -Li 11.610000 5.805000 5.805000 -I 14.512500 8.707500 8.707500 -Li 0.000000 2.902500 2.902500 -I 2.902500 5.805000 5.805000 -Li 2.902500 5.805000 2.902500 -I 5.805000 8.707500 5.805000 -Li 5.805000 8.707500 2.902500 -I 8.707500 11.610000 5.805000 -Li 2.902500 2.902500 5.805000 -I 5.805000 5.805000 8.707500 -Li 5.805000 5.805000 5.805000 -I 8.707500 8.707500 8.707500 -Li 8.707500 8.707500 5.805000 -I 11.610000 11.610000 8.707500 -Li 5.805000 2.902500 8.707500 -I 8.707500 5.805000 11.610000 -Li 8.707500 5.805000 8.707500 -I 11.610000 8.707500 11.610000 -Li 11.610000 8.707500 8.707500 -I 14.512500 11.610000 11.610000 -Li 0.000000 5.805000 5.805000 -I 2.902500 8.707500 8.707500 -Li 2.902500 8.707500 5.805000 -I 5.805000 11.610000 8.707500 -Li 5.805000 11.610000 5.805000 -I 8.707500 14.512500 8.707500 -Li 2.902500 5.805000 8.707500 -I 5.805000 8.707500 11.610000 -Li 5.805000 8.707500 8.707500 -I 8.707500 11.610000 11.610000 -Li 8.707500 11.610000 8.707500 -I 11.610000 14.512500 11.610000 -Li 5.805000 5.805000 11.610000 -I 8.707500 8.707500 14.512500 -Li 8.707500 8.707500 11.610000 -I 11.610000 11.610000 14.512500 -Li 11.610000 11.610000 11.610000 -I 14.512500 14.512500 14.512500 diff --git a/data/compressed_sensing/structures/RS_structures/INa.xyz b/data/compressed_sensing/structures/RS_structures/INa.xyz deleted file mode 100644 index 014c11a913dccc4671e802b97d6459a4eeedbfd8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/INa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -I 3.130000 3.130000 3.130000 -Na 3.130000 3.130000 0.000000 -I 6.260000 6.260000 3.130000 -Na 6.260000 6.260000 0.000000 -I 9.390000 9.390000 3.130000 -Na 3.130000 0.000000 3.130000 -I 6.260000 3.130000 6.260000 -Na 6.260000 3.130000 3.130000 -I 9.390000 6.260000 6.260000 -Na 9.390000 6.260000 3.130000 -I 12.520000 9.390000 6.260000 -Na 6.260000 0.000000 6.260000 -I 9.390000 3.130000 9.390000 -Na 9.390000 3.130000 6.260000 -I 12.520000 6.260000 9.390000 -Na 12.520000 6.260000 6.260000 -I 15.650000 9.390000 9.390000 -Na 0.000000 3.130000 3.130000 -I 3.130000 6.260000 6.260000 -Na 3.130000 6.260000 3.130000 -I 6.260000 9.390000 6.260000 -Na 6.260000 9.390000 3.130000 -I 9.390000 12.520000 6.260000 -Na 3.130000 3.130000 6.260000 -I 6.260000 6.260000 9.390000 -Na 6.260000 6.260000 6.260000 -I 9.390000 9.390000 9.390000 -Na 9.390000 9.390000 6.260000 -I 12.520000 12.520000 9.390000 -Na 6.260000 3.130000 9.390000 -I 9.390000 6.260000 12.520000 -Na 9.390000 6.260000 9.390000 -I 12.520000 9.390000 12.520000 -Na 12.520000 9.390000 9.390000 -I 15.650000 12.520000 12.520000 -Na 0.000000 6.260000 6.260000 -I 3.130000 9.390000 9.390000 -Na 3.130000 9.390000 6.260000 -I 6.260000 12.520000 9.390000 -Na 6.260000 12.520000 6.260000 -I 9.390000 15.650000 9.390000 -Na 3.130000 6.260000 9.390000 -I 6.260000 9.390000 12.520000 -Na 6.260000 9.390000 9.390000 -I 9.390000 12.520000 12.520000 -Na 9.390000 12.520000 9.390000 -I 12.520000 15.650000 12.520000 -Na 6.260000 6.260000 12.520000 -I 9.390000 9.390000 15.650000 -Na 9.390000 9.390000 12.520000 -I 12.520000 12.520000 15.650000 -Na 12.520000 12.520000 12.520000 -I 15.650000 15.650000 15.650000 diff --git a/data/compressed_sensing/structures/RS_structures/IRb.xyz b/data/compressed_sensing/structures/RS_structures/IRb.xyz deleted file mode 100644 index c262f4cf50914e1ced2c07259339e972871435a8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/IRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -I 3.552000 3.552000 3.552000 -Rb 3.552000 3.552000 0.000000 -I 7.104000 7.104000 3.552000 -Rb 7.104000 7.104000 0.000000 -I 10.656000 10.656000 3.552000 -Rb 3.552000 0.000000 3.552000 -I 7.104000 3.552000 7.104000 -Rb 7.104000 3.552000 3.552000 -I 10.656000 7.104000 7.104000 -Rb 10.656000 7.104000 3.552000 -I 14.208000 10.656000 7.104000 -Rb 7.104000 0.000000 7.104000 -I 10.656000 3.552000 10.656000 -Rb 10.656000 3.552000 7.104000 -I 14.208000 7.104000 10.656000 -Rb 14.208000 7.104000 7.104000 -I 17.760000 10.656000 10.656000 -Rb 0.000000 3.552000 3.552000 -I 3.552000 7.104000 7.104000 -Rb 3.552000 7.104000 3.552000 -I 7.104000 10.656000 7.104000 -Rb 7.104000 10.656000 3.552000 -I 10.656000 14.208000 7.104000 -Rb 3.552000 3.552000 7.104000 -I 7.104000 7.104000 10.656000 -Rb 7.104000 7.104000 7.104000 -I 10.656000 10.656000 10.656000 -Rb 10.656000 10.656000 7.104000 -I 14.208000 14.208000 10.656000 -Rb 7.104000 3.552000 10.656000 -I 10.656000 7.104000 14.208000 -Rb 10.656000 7.104000 10.656000 -I 14.208000 10.656000 14.208000 -Rb 14.208000 10.656000 10.656000 -I 17.760000 14.208000 14.208000 -Rb 0.000000 7.104000 7.104000 -I 3.552000 10.656000 10.656000 -Rb 3.552000 10.656000 7.104000 -I 7.104000 14.208000 10.656000 -Rb 7.104000 14.208000 7.104000 -I 10.656000 17.760000 10.656000 -Rb 3.552000 7.104000 10.656000 -I 7.104000 10.656000 14.208000 -Rb 7.104000 10.656000 10.656000 -I 10.656000 14.208000 14.208000 -Rb 10.656000 14.208000 10.656000 -I 14.208000 17.760000 14.208000 -Rb 7.104000 7.104000 14.208000 -I 10.656000 10.656000 17.760000 -Rb 10.656000 10.656000 14.208000 -I 14.208000 14.208000 17.760000 -Rb 14.208000 14.208000 14.208000 -I 17.760000 17.760000 17.760000 diff --git a/data/compressed_sensing/structures/RS_structures/InN.xyz b/data/compressed_sensing/structures/RS_structures/InN.xyz deleted file mode 100644 index 8a72c6144b95b845a8bff38a483d7a3206ab8d1b..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/InN.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -In 0.000000 0.000000 0.000000 -N 2.302000 2.302000 2.302000 -In 2.302000 2.302000 0.000000 -N 4.604000 4.604000 2.302000 -In 4.604000 4.604000 0.000000 -N 6.906000 6.906000 2.302000 -In 2.302000 0.000000 2.302000 -N 4.604000 2.302000 4.604000 -In 4.604000 2.302000 2.302000 -N 6.906000 4.604000 4.604000 -In 6.906000 4.604000 2.302000 -N 9.208000 6.906000 4.604000 -In 4.604000 0.000000 4.604000 -N 6.906000 2.302000 6.906000 -In 6.906000 2.302000 4.604000 -N 9.208000 4.604000 6.906000 -In 9.208000 4.604000 4.604000 -N 11.510000 6.906000 6.906000 -In 0.000000 2.302000 2.302000 -N 2.302000 4.604000 4.604000 -In 2.302000 4.604000 2.302000 -N 4.604000 6.906000 4.604000 -In 4.604000 6.906000 2.302000 -N 6.906000 9.208000 4.604000 -In 2.302000 2.302000 4.604000 -N 4.604000 4.604000 6.906000 -In 4.604000 4.604000 4.604000 -N 6.906000 6.906000 6.906000 -In 6.906000 6.906000 4.604000 -N 9.208000 9.208000 6.906000 -In 4.604000 2.302000 6.906000 -N 6.906000 4.604000 9.208000 -In 6.906000 4.604000 6.906000 -N 9.208000 6.906000 9.208000 -In 9.208000 6.906000 6.906000 -N 11.510000 9.208000 9.208000 -In 0.000000 4.604000 4.604000 -N 2.302000 6.906000 6.906000 -In 2.302000 6.906000 4.604000 -N 4.604000 9.208000 6.906000 -In 4.604000 9.208000 4.604000 -N 6.906000 11.510000 6.906000 -In 2.302000 4.604000 6.906000 -N 4.604000 6.906000 9.208000 -In 4.604000 6.906000 6.906000 -N 6.906000 9.208000 9.208000 -In 6.906000 9.208000 6.906000 -N 9.208000 11.510000 9.208000 -In 4.604000 4.604000 9.208000 -N 6.906000 6.906000 11.510000 -In 6.906000 6.906000 9.208000 -N 9.208000 9.208000 11.510000 -In 9.208000 9.208000 9.208000 -N 11.510000 11.510000 11.510000 diff --git a/data/compressed_sensing/structures/RS_structures/InP.xyz b/data/compressed_sensing/structures/RS_structures/InP.xyz deleted file mode 100644 index 7a5623c97e4fe3ba7a9836c83842ec876162affd..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/InP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -In 0.000000 0.000000 0.000000 -P 2.707500 2.707500 2.707500 -In 2.707500 2.707500 0.000000 -P 5.415000 5.415000 2.707500 -In 5.415000 5.415000 0.000000 -P 8.122500 8.122500 2.707500 -In 2.707500 0.000000 2.707500 -P 5.415000 2.707500 5.415000 -In 5.415000 2.707500 2.707500 -P 8.122500 5.415000 5.415000 -In 8.122500 5.415000 2.707500 -P 10.830000 8.122500 5.415000 -In 5.415000 0.000000 5.415000 -P 8.122500 2.707500 8.122500 -In 8.122500 2.707500 5.415000 -P 10.830000 5.415000 8.122500 -In 10.830000 5.415000 5.415000 -P 13.537500 8.122500 8.122500 -In 0.000000 2.707500 2.707500 -P 2.707500 5.415000 5.415000 -In 2.707500 5.415000 2.707500 -P 5.415000 8.122500 5.415000 -In 5.415000 8.122500 2.707500 -P 8.122500 10.830000 5.415000 -In 2.707500 2.707500 5.415000 -P 5.415000 5.415000 8.122500 -In 5.415000 5.415000 5.415000 -P 8.122500 8.122500 8.122500 -In 8.122500 8.122500 5.415000 -P 10.830000 10.830000 8.122500 -In 5.415000 2.707500 8.122500 -P 8.122500 5.415000 10.830000 -In 8.122500 5.415000 8.122500 -P 10.830000 8.122500 10.830000 -In 10.830000 8.122500 8.122500 -P 13.537500 10.830000 10.830000 -In 0.000000 5.415000 5.415000 -P 2.707500 8.122500 8.122500 -In 2.707500 8.122500 5.415000 -P 5.415000 10.830000 8.122500 -In 5.415000 10.830000 5.415000 -P 8.122500 13.537500 8.122500 -In 2.707500 5.415000 8.122500 -P 5.415000 8.122500 10.830000 -In 5.415000 8.122500 8.122500 -P 8.122500 10.830000 10.830000 -In 8.122500 10.830000 8.122500 -P 10.830000 13.537500 10.830000 -In 5.415000 5.415000 10.830000 -P 8.122500 8.122500 13.537500 -In 8.122500 8.122500 10.830000 -P 10.830000 10.830000 13.537500 -In 10.830000 10.830000 10.830000 -P 13.537500 13.537500 13.537500 diff --git a/data/compressed_sensing/structures/RS_structures/InSb.xyz b/data/compressed_sensing/structures/RS_structures/InSb.xyz deleted file mode 100644 index bc520ad93ab320710200aa028f9d1cdd255f3f57..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/InSb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -In 0.000000 0.000000 0.000000 -Sb 2.988000 2.988000 2.988000 -In 2.988000 2.988000 0.000000 -Sb 5.976000 5.976000 2.988000 -In 5.976000 5.976000 0.000000 -Sb 8.964000 8.964000 2.988000 -In 2.988000 0.000000 2.988000 -Sb 5.976000 2.988000 5.976000 -In 5.976000 2.988000 2.988000 -Sb 8.964000 5.976000 5.976000 -In 8.964000 5.976000 2.988000 -Sb 11.952000 8.964000 5.976000 -In 5.976000 0.000000 5.976000 -Sb 8.964000 2.988000 8.964000 -In 8.964000 2.988000 5.976000 -Sb 11.952000 5.976000 8.964000 -In 11.952000 5.976000 5.976000 -Sb 14.940000 8.964000 8.964000 -In 0.000000 2.988000 2.988000 -Sb 2.988000 5.976000 5.976000 -In 2.988000 5.976000 2.988000 -Sb 5.976000 8.964000 5.976000 -In 5.976000 8.964000 2.988000 -Sb 8.964000 11.952000 5.976000 -In 2.988000 2.988000 5.976000 -Sb 5.976000 5.976000 8.964000 -In 5.976000 5.976000 5.976000 -Sb 8.964000 8.964000 8.964000 -In 8.964000 8.964000 5.976000 -Sb 11.952000 11.952000 8.964000 -In 5.976000 2.988000 8.964000 -Sb 8.964000 5.976000 11.952000 -In 8.964000 5.976000 8.964000 -Sb 11.952000 8.964000 11.952000 -In 11.952000 8.964000 8.964000 -Sb 14.940000 11.952000 11.952000 -In 0.000000 5.976000 5.976000 -Sb 2.988000 8.964000 8.964000 -In 2.988000 8.964000 5.976000 -Sb 5.976000 11.952000 8.964000 -In 5.976000 11.952000 5.976000 -Sb 8.964000 14.940000 8.964000 -In 2.988000 5.976000 8.964000 -Sb 5.976000 8.964000 11.952000 -In 5.976000 8.964000 8.964000 -Sb 8.964000 11.952000 11.952000 -In 8.964000 11.952000 8.964000 -Sb 11.952000 14.940000 11.952000 -In 5.976000 5.976000 11.952000 -Sb 8.964000 8.964000 14.940000 -In 8.964000 8.964000 11.952000 -Sb 11.952000 11.952000 14.940000 -In 11.952000 11.952000 11.952000 -Sb 14.940000 14.940000 14.940000 diff --git a/data/compressed_sensing/structures/RS_structures/MgO.xyz b/data/compressed_sensing/structures/RS_structures/MgO.xyz deleted file mode 100644 index 9ef193b104eb66bd2c642129b49709bc896508da..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/MgO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -O 2.039870 2.039870 2.039870 -Mg 2.039870 2.039870 0.000000 -O 4.079740 4.079740 2.039870 -Mg 4.079740 4.079740 0.000000 -O 6.119610 6.119610 2.039870 -Mg 2.039870 0.000000 2.039870 -O 4.079740 2.039870 4.079740 -Mg 4.079740 2.039870 2.039870 -O 6.119610 4.079740 4.079740 -Mg 6.119610 4.079740 2.039870 -O 8.159480 6.119610 4.079740 -Mg 4.079740 0.000000 4.079740 -O 6.119610 2.039870 6.119610 -Mg 6.119610 2.039870 4.079740 -O 8.159480 4.079740 6.119610 -Mg 8.159480 4.079740 4.079740 -O 10.199350 6.119610 6.119610 -Mg 0.000000 2.039870 2.039870 -O 2.039870 4.079740 4.079740 -Mg 2.039870 4.079740 2.039870 -O 4.079740 6.119610 4.079740 -Mg 4.079740 6.119610 2.039870 -O 6.119610 8.159480 4.079740 -Mg 2.039870 2.039870 4.079740 -O 4.079740 4.079740 6.119610 -Mg 4.079740 4.079740 4.079740 -O 6.119610 6.119610 6.119610 -Mg 6.119610 6.119610 4.079740 -O 8.159480 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--- a/data/compressed_sensing/structures/RS_structures/MgS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -S 2.566000 2.566000 2.566000 -Mg 2.566000 2.566000 0.000000 -S 5.132000 5.132000 2.566000 -Mg 5.132000 5.132000 0.000000 -S 7.698000 7.698000 2.566000 -Mg 2.566000 0.000000 2.566000 -S 5.132000 2.566000 5.132000 -Mg 5.132000 2.566000 2.566000 -S 7.698000 5.132000 5.132000 -Mg 7.698000 5.132000 2.566000 -S 10.264000 7.698000 5.132000 -Mg 5.132000 0.000000 5.132000 -S 7.698000 2.566000 7.698000 -Mg 7.698000 2.566000 5.132000 -S 10.264000 5.132000 7.698000 -Mg 10.264000 5.132000 5.132000 -S 12.830000 7.698000 7.698000 -Mg 0.000000 2.566000 2.566000 -S 2.566000 5.132000 5.132000 -Mg 2.566000 5.132000 2.566000 -S 5.132000 7.698000 5.132000 -Mg 5.132000 7.698000 2.566000 -S 7.698000 10.264000 5.132000 -Mg 2.566000 2.566000 5.132000 -S 5.132000 5.132000 7.698000 -Mg 5.132000 5.132000 5.132000 -S 7.698000 7.698000 7.698000 -Mg 7.698000 7.698000 5.132000 -S 10.264000 10.264000 7.698000 -Mg 5.132000 2.566000 7.698000 -S 7.698000 5.132000 10.264000 -Mg 7.698000 5.132000 7.698000 -S 10.264000 7.698000 10.264000 -Mg 10.264000 7.698000 7.698000 -S 12.830000 10.264000 10.264000 -Mg 0.000000 5.132000 5.132000 -S 2.566000 7.698000 7.698000 -Mg 2.566000 7.698000 5.132000 -S 5.132000 10.264000 7.698000 -Mg 5.132000 10.264000 5.132000 -S 7.698000 12.830000 7.698000 -Mg 2.566000 5.132000 7.698000 -S 5.132000 7.698000 10.264000 -Mg 5.132000 7.698000 7.698000 -S 7.698000 10.264000 10.264000 -Mg 7.698000 10.264000 7.698000 -S 10.264000 12.830000 10.264000 -Mg 5.132000 5.132000 10.264000 -S 7.698000 7.698000 12.830000 -Mg 7.698000 7.698000 10.264000 -S 10.264000 10.264000 12.830000 -Mg 10.264000 10.264000 10.264000 -S 12.830000 12.830000 12.830000 diff --git a/data/compressed_sensing/structures/RS_structures/MgSe.xyz b/data/compressed_sensing/structures/RS_structures/MgSe.xyz deleted file mode 100644 index 843860eb81afd8bf8192ed75fc77258b1d5cbf81..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/MgSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -Se 2.697500 2.697500 2.697500 -Mg 2.697500 2.697500 0.000000 -Se 5.395000 5.395000 2.697500 -Mg 5.395000 5.395000 0.000000 -Se 8.092500 8.092500 2.697500 -Mg 2.697500 0.000000 2.697500 -Se 5.395000 2.697500 5.395000 -Mg 5.395000 2.697500 2.697500 -Se 8.092500 5.395000 5.395000 -Mg 8.092500 5.395000 2.697500 -Se 10.790000 8.092500 5.395000 -Mg 5.395000 0.000000 5.395000 -Se 8.092500 2.697500 8.092500 -Mg 8.092500 2.697500 5.395000 -Se 10.790000 5.395000 8.092500 -Mg 10.790000 5.395000 5.395000 -Se 13.487500 8.092500 8.092500 -Mg 0.000000 2.697500 2.697500 -Se 2.697500 5.395000 5.395000 -Mg 2.697500 5.395000 2.697500 -Se 5.395000 8.092500 5.395000 -Mg 5.395000 8.092500 2.697500 -Se 8.092500 10.790000 5.395000 -Mg 2.697500 2.697500 5.395000 -Se 5.395000 5.395000 8.092500 -Mg 5.395000 5.395000 5.395000 -Se 8.092500 8.092500 8.092500 -Mg 8.092500 8.092500 5.395000 -Se 10.790000 10.790000 8.092500 -Mg 5.395000 2.697500 8.092500 -Se 8.092500 5.395000 10.790000 -Mg 8.092500 5.395000 8.092500 -Se 10.790000 8.092500 10.790000 -Mg 10.790000 8.092500 8.092500 -Se 13.487500 10.790000 10.790000 -Mg 0.000000 5.395000 5.395000 -Se 2.697500 8.092500 8.092500 -Mg 2.697500 8.092500 5.395000 -Se 5.395000 10.790000 8.092500 -Mg 5.395000 10.790000 5.395000 -Se 8.092500 13.487500 8.092500 -Mg 2.697500 5.395000 8.092500 -Se 5.395000 8.092500 10.790000 -Mg 5.395000 8.092500 8.092500 -Se 8.092500 10.790000 10.790000 -Mg 8.092500 10.790000 8.092500 -Se 10.790000 13.487500 10.790000 -Mg 5.395000 5.395000 10.790000 -Se 8.092500 8.092500 13.487500 -Mg 8.092500 8.092500 10.790000 -Se 10.790000 10.790000 13.487500 -Mg 10.790000 10.790000 10.790000 -Se 13.487500 13.487500 13.487500 diff --git a/data/compressed_sensing/structures/RS_structures/MgTe.xyz b/data/compressed_sensing/structures/RS_structures/MgTe.xyz deleted file mode 100644 index b4a44ed2bacb2b8da50cb3afe78cf66465689824..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/MgTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -Te 2.921500 2.921500 2.921500 -Mg 2.921500 2.921500 0.000000 -Te 5.843000 5.843000 2.921500 -Mg 5.843000 5.843000 0.000000 -Te 8.764500 8.764500 2.921500 -Mg 2.921500 0.000000 2.921500 -Te 5.843000 2.921500 5.843000 -Mg 5.843000 2.921500 2.921500 -Te 8.764500 5.843000 5.843000 -Mg 8.764500 5.843000 2.921500 -Te 11.686000 8.764500 5.843000 -Mg 5.843000 0.000000 5.843000 -Te 8.764500 2.921500 8.764500 -Mg 8.764500 2.921500 5.843000 -Te 11.686000 5.843000 8.764500 -Mg 11.686000 5.843000 5.843000 -Te 14.607500 8.764500 8.764500 -Mg 0.000000 2.921500 2.921500 -Te 2.921500 5.843000 5.843000 -Mg 2.921500 5.843000 2.921500 -Te 5.843000 8.764500 5.843000 -Mg 5.843000 8.764500 2.921500 -Te 8.764500 11.686000 5.843000 -Mg 2.921500 2.921500 5.843000 -Te 5.843000 5.843000 8.764500 -Mg 5.843000 5.843000 5.843000 -Te 8.764500 8.764500 8.764500 -Mg 8.764500 8.764500 5.843000 -Te 11.686000 11.686000 8.764500 -Mg 5.843000 2.921500 8.764500 -Te 8.764500 5.843000 11.686000 -Mg 8.764500 5.843000 8.764500 -Te 11.686000 8.764500 11.686000 -Mg 11.686000 8.764500 8.764500 -Te 14.607500 11.686000 11.686000 -Mg 0.000000 5.843000 5.843000 -Te 2.921500 8.764500 8.764500 -Mg 2.921500 8.764500 5.843000 -Te 5.843000 11.686000 8.764500 -Mg 5.843000 11.686000 5.843000 -Te 8.764500 14.607500 8.764500 -Mg 2.921500 5.843000 8.764500 -Te 5.843000 8.764500 11.686000 -Mg 5.843000 8.764500 8.764500 -Te 8.764500 11.686000 11.686000 -Mg 8.764500 11.686000 8.764500 -Te 11.686000 14.607500 11.686000 -Mg 5.843000 5.843000 11.686000 -Te 8.764500 8.764500 14.607500 -Mg 8.764500 8.764500 11.686000 -Te 11.686000 11.686000 14.607500 -Mg 11.686000 11.686000 11.686000 -Te 14.607500 14.607500 14.607500 diff --git a/data/compressed_sensing/structures/RS_structures/OSr.xyz b/data/compressed_sensing/structures/RS_structures/OSr.xyz deleted file mode 100644 index 3b07ab1c7ab7d6e87c06189cffb49c154e133351..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/OSr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -O 2.533000 2.533000 2.533000 -Sr 2.533000 2.533000 0.000000 -O 5.066000 5.066000 2.533000 -Sr 5.066000 5.066000 0.000000 -O 7.599000 7.599000 2.533000 -Sr 2.533000 0.000000 2.533000 -O 5.066000 2.533000 5.066000 -Sr 5.066000 2.533000 2.533000 -O 7.599000 5.066000 5.066000 -Sr 7.599000 5.066000 2.533000 -O 10.132000 7.599000 5.066000 -Sr 5.066000 0.000000 5.066000 -O 7.599000 2.533000 7.599000 -Sr 7.599000 2.533000 5.066000 -O 10.132000 5.066000 7.599000 -Sr 10.132000 5.066000 5.066000 -O 12.665000 7.599000 7.599000 -Sr 0.000000 2.533000 2.533000 -O 2.533000 5.066000 5.066000 -Sr 2.533000 5.066000 2.533000 -O 5.066000 7.599000 5.066000 -Sr 5.066000 7.599000 2.533000 -O 7.599000 10.132000 5.066000 -Sr 2.533000 2.533000 5.066000 -O 5.066000 5.066000 7.599000 -Sr 5.066000 5.066000 5.066000 -O 7.599000 7.599000 7.599000 -Sr 7.599000 7.599000 5.066000 -O 10.132000 10.132000 7.599000 -Sr 5.066000 2.533000 7.599000 -O 7.599000 5.066000 10.132000 -Sr 7.599000 5.066000 7.599000 -O 10.132000 7.599000 10.132000 -Sr 10.132000 7.599000 7.599000 -O 12.665000 10.132000 10.132000 -Sr 0.000000 5.066000 5.066000 -O 2.533000 7.599000 7.599000 -Sr 2.533000 7.599000 5.066000 -O 5.066000 10.132000 7.599000 -Sr 5.066000 10.132000 5.066000 -O 7.599000 12.665000 7.599000 -Sr 2.533000 5.066000 7.599000 -O 5.066000 7.599000 10.132000 -Sr 5.066000 7.599000 7.599000 -O 7.599000 10.132000 10.132000 -Sr 7.599000 10.132000 7.599000 -O 10.132000 12.665000 10.132000 -Sr 5.066000 5.066000 10.132000 -O 7.599000 7.599000 12.665000 -Sr 7.599000 7.599000 10.132000 -O 10.132000 10.132000 12.665000 -Sr 10.132000 10.132000 10.132000 -O 12.665000 12.665000 12.665000 diff --git a/data/compressed_sensing/structures/RS_structures/OZn.xyz b/data/compressed_sensing/structures/RS_structures/OZn.xyz deleted file mode 100644 index 392727675ed30f7c4987a4485948ea41438bfc5c..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/OZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -O 2.106000 2.106000 2.106000 -Zn 2.106000 2.106000 0.000000 -O 4.212000 4.212000 2.106000 -Zn 4.212000 4.212000 0.000000 -O 6.318000 6.318000 2.106000 -Zn 2.106000 0.000000 2.106000 -O 4.212000 2.106000 4.212000 -Zn 4.212000 2.106000 2.106000 -O 6.318000 4.212000 4.212000 -Zn 6.318000 4.212000 2.106000 -O 8.424000 6.318000 4.212000 -Zn 4.212000 0.000000 4.212000 -O 6.318000 2.106000 6.318000 -Zn 6.318000 2.106000 4.212000 -O 8.424000 4.212000 6.318000 -Zn 8.424000 4.212000 4.212000 -O 10.530000 6.318000 6.318000 -Zn 0.000000 2.106000 2.106000 -O 2.106000 4.212000 4.212000 -Zn 2.106000 4.212000 2.106000 -O 4.212000 6.318000 4.212000 -Zn 4.212000 6.318000 2.106000 -O 6.318000 8.424000 4.212000 -Zn 2.106000 2.106000 4.212000 -O 4.212000 4.212000 6.318000 -Zn 4.212000 4.212000 4.212000 -O 6.318000 6.318000 6.318000 -Zn 6.318000 6.318000 4.212000 -O 8.424000 8.424000 6.318000 -Zn 4.212000 2.106000 6.318000 -O 6.318000 4.212000 8.424000 -Zn 6.318000 4.212000 6.318000 -O 8.424000 6.318000 8.424000 -Zn 8.424000 6.318000 6.318000 -O 10.530000 8.424000 8.424000 -Zn 0.000000 4.212000 4.212000 -O 2.106000 6.318000 6.318000 -Zn 2.106000 6.318000 4.212000 -O 4.212000 8.424000 6.318000 -Zn 4.212000 8.424000 4.212000 -O 6.318000 10.530000 6.318000 -Zn 2.106000 4.212000 6.318000 -O 4.212000 6.318000 8.424000 -Zn 4.212000 6.318000 6.318000 -O 6.318000 8.424000 8.424000 -Zn 6.318000 8.424000 6.318000 -O 8.424000 10.530000 8.424000 -Zn 4.212000 4.212000 8.424000 -O 6.318000 6.318000 10.530000 -Zn 6.318000 6.318000 8.424000 -O 8.424000 8.424000 10.530000 -Zn 8.424000 8.424000 8.424000 -O 10.530000 10.530000 10.530000 diff --git a/data/compressed_sensing/structures/RS_structures/SSr.xyz b/data/compressed_sensing/structures/RS_structures/SSr.xyz deleted file mode 100644 index 374e73eb74f8ce0186b8b5cf32b3d7f88c7b5e15..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/SSr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -S 2.953000 2.953000 2.953000 -Sr 2.953000 2.953000 0.000000 -S 5.906000 5.906000 2.953000 -Sr 5.906000 5.906000 0.000000 -S 8.859000 8.859000 2.953000 -Sr 2.953000 0.000000 2.953000 -S 5.906000 2.953000 5.906000 -Sr 5.906000 2.953000 2.953000 -S 8.859000 5.906000 5.906000 -Sr 8.859000 5.906000 2.953000 -S 11.812000 8.859000 5.906000 -Sr 5.906000 0.000000 5.906000 -S 8.859000 2.953000 8.859000 -Sr 8.859000 2.953000 5.906000 -S 11.812000 5.906000 8.859000 -Sr 11.812000 5.906000 5.906000 -S 14.765000 8.859000 8.859000 -Sr 0.000000 2.953000 2.953000 -S 2.953000 5.906000 5.906000 -Sr 2.953000 5.906000 2.953000 -S 5.906000 8.859000 5.906000 -Sr 5.906000 8.859000 2.953000 -S 8.859000 11.812000 5.906000 -Sr 2.953000 2.953000 5.906000 -S 5.906000 5.906000 8.859000 -Sr 5.906000 5.906000 5.906000 -S 8.859000 8.859000 8.859000 -Sr 8.859000 8.859000 5.906000 -S 11.812000 11.812000 8.859000 -Sr 5.906000 2.953000 8.859000 -S 8.859000 5.906000 11.812000 -Sr 8.859000 5.906000 8.859000 -S 11.812000 8.859000 11.812000 -Sr 11.812000 8.859000 8.859000 -S 14.765000 11.812000 11.812000 -Sr 0.000000 5.906000 5.906000 -S 2.953000 8.859000 8.859000 -Sr 2.953000 8.859000 5.906000 -S 5.906000 11.812000 8.859000 -Sr 5.906000 11.812000 5.906000 -S 8.859000 14.765000 8.859000 -Sr 2.953000 5.906000 8.859000 -S 5.906000 8.859000 11.812000 -Sr 5.906000 8.859000 8.859000 -S 8.859000 11.812000 11.812000 -Sr 8.859000 11.812000 8.859000 -S 11.812000 14.765000 11.812000 -Sr 5.906000 5.906000 11.812000 -S 8.859000 8.859000 14.765000 -Sr 8.859000 8.859000 11.812000 -S 11.812000 11.812000 14.765000 -Sr 11.812000 11.812000 11.812000 -S 14.765000 14.765000 14.765000 diff --git a/data/compressed_sensing/structures/RS_structures/SZn.xyz b/data/compressed_sensing/structures/RS_structures/SZn.xyz deleted file mode 100644 index bf862c126b28ba37638c35e43bd6a128cf96f81c..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/SZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -S 2.483000 2.483000 2.483000 -Zn 2.483000 2.483000 0.000000 -S 4.966000 4.966000 2.483000 -Zn 4.966000 4.966000 0.000000 -S 7.449000 7.449000 2.483000 -Zn 2.483000 0.000000 2.483000 -S 4.966000 2.483000 4.966000 -Zn 4.966000 2.483000 2.483000 -S 7.449000 4.966000 4.966000 -Zn 7.449000 4.966000 2.483000 -S 9.932000 7.449000 4.966000 -Zn 4.966000 0.000000 4.966000 -S 7.449000 2.483000 7.449000 -Zn 7.449000 2.483000 4.966000 -S 9.932000 4.966000 7.449000 -Zn 9.932000 4.966000 4.966000 -S 12.415000 7.449000 7.449000 -Zn 0.000000 2.483000 2.483000 -S 2.483000 4.966000 4.966000 -Zn 2.483000 4.966000 2.483000 -S 4.966000 7.449000 4.966000 -Zn 4.966000 7.449000 2.483000 -S 7.449000 9.932000 4.966000 -Zn 2.483000 2.483000 4.966000 -S 4.966000 4.966000 7.449000 -Zn 4.966000 4.966000 4.966000 -S 7.449000 7.449000 7.449000 -Zn 7.449000 7.449000 4.966000 -S 9.932000 9.932000 7.449000 -Zn 4.966000 2.483000 7.449000 -S 7.449000 4.966000 9.932000 -Zn 7.449000 4.966000 7.449000 -S 9.932000 7.449000 9.932000 -Zn 9.932000 7.449000 7.449000 -S 12.415000 9.932000 9.932000 -Zn 0.000000 4.966000 4.966000 -S 2.483000 7.449000 7.449000 -Zn 2.483000 7.449000 4.966000 -S 4.966000 9.932000 7.449000 -Zn 4.966000 9.932000 4.966000 -S 7.449000 12.415000 7.449000 -Zn 2.483000 4.966000 7.449000 -S 4.966000 7.449000 9.932000 -Zn 4.966000 7.449000 7.449000 -S 7.449000 9.932000 9.932000 -Zn 7.449000 9.932000 7.449000 -S 9.932000 12.415000 9.932000 -Zn 4.966000 4.966000 9.932000 -S 7.449000 7.449000 12.415000 -Zn 7.449000 7.449000 9.932000 -S 9.932000 9.932000 12.415000 -Zn 9.932000 9.932000 9.932000 -S 12.415000 12.415000 12.415000 diff --git a/data/compressed_sensing/structures/RS_structures/SeSr.xyz b/data/compressed_sensing/structures/RS_structures/SeSr.xyz deleted file mode 100644 index bd638040a71363a556886ab424211a05a6b8ac07..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/SeSr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -Se 3.062000 3.062000 3.062000 -Sr 3.062000 3.062000 0.000000 -Se 6.124000 6.124000 3.062000 -Sr 6.124000 6.124000 0.000000 -Se 9.186000 9.186000 3.062000 -Sr 3.062000 0.000000 3.062000 -Se 6.124000 3.062000 6.124000 -Sr 6.124000 3.062000 3.062000 -Se 9.186000 6.124000 6.124000 -Sr 9.186000 6.124000 3.062000 -Se 12.248000 9.186000 6.124000 -Sr 6.124000 0.000000 6.124000 -Se 9.186000 3.062000 9.186000 -Sr 9.186000 3.062000 6.124000 -Se 12.248000 6.124000 9.186000 -Sr 12.248000 6.124000 6.124000 -Se 15.310000 9.186000 9.186000 -Sr 0.000000 3.062000 3.062000 -Se 3.062000 6.124000 6.124000 -Sr 3.062000 6.124000 3.062000 -Se 6.124000 9.186000 6.124000 -Sr 6.124000 9.186000 3.062000 -Se 9.186000 12.248000 6.124000 -Sr 3.062000 3.062000 6.124000 -Se 6.124000 6.124000 9.186000 -Sr 6.124000 6.124000 6.124000 -Se 9.186000 9.186000 9.186000 -Sr 9.186000 9.186000 6.124000 -Se 12.248000 12.248000 9.186000 -Sr 6.124000 3.062000 9.186000 -Se 9.186000 6.124000 12.248000 -Sr 9.186000 6.124000 9.186000 -Se 12.248000 9.186000 12.248000 -Sr 12.248000 9.186000 9.186000 -Se 15.310000 12.248000 12.248000 -Sr 0.000000 6.124000 6.124000 -Se 3.062000 9.186000 9.186000 -Sr 3.062000 9.186000 6.124000 -Se 6.124000 12.248000 9.186000 -Sr 6.124000 12.248000 6.124000 -Se 9.186000 15.310000 9.186000 -Sr 3.062000 6.124000 9.186000 -Se 6.124000 9.186000 12.248000 -Sr 6.124000 9.186000 9.186000 -Se 9.186000 12.248000 12.248000 -Sr 9.186000 12.248000 9.186000 -Se 12.248000 15.310000 12.248000 -Sr 6.124000 6.124000 12.248000 -Se 9.186000 9.186000 15.310000 -Sr 9.186000 9.186000 12.248000 -Se 12.248000 12.248000 15.310000 -Sr 12.248000 12.248000 12.248000 -Se 15.310000 15.310000 15.310000 diff --git a/data/compressed_sensing/structures/RS_structures/SeZn.xyz b/data/compressed_sensing/structures/RS_structures/SeZn.xyz deleted file mode 100644 index 5ea3027ad525bca06371ce343896f534f4106f1f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/SeZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -Se 2.607000 2.607000 2.607000 -Zn 2.607000 2.607000 0.000000 -Se 5.214000 5.214000 2.607000 -Zn 5.214000 5.214000 0.000000 -Se 7.821000 7.821000 2.607000 -Zn 2.607000 0.000000 2.607000 -Se 5.214000 2.607000 5.214000 -Zn 5.214000 2.607000 2.607000 -Se 7.821000 5.214000 5.214000 -Zn 7.821000 5.214000 2.607000 -Se 10.428000 7.821000 5.214000 -Zn 5.214000 0.000000 5.214000 -Se 7.821000 2.607000 7.821000 -Zn 7.821000 2.607000 5.214000 -Se 10.428000 5.214000 7.821000 -Zn 10.428000 5.214000 5.214000 -Se 13.035000 7.821000 7.821000 -Zn 0.000000 2.607000 2.607000 -Se 2.607000 5.214000 5.214000 -Zn 2.607000 5.214000 2.607000 -Se 5.214000 7.821000 5.214000 -Zn 5.214000 7.821000 2.607000 -Se 7.821000 10.428000 5.214000 -Zn 2.607000 2.607000 5.214000 -Se 5.214000 5.214000 7.821000 -Zn 5.214000 5.214000 5.214000 -Se 7.821000 7.821000 7.821000 -Zn 7.821000 7.821000 5.214000 -Se 10.428000 10.428000 7.821000 -Zn 5.214000 2.607000 7.821000 -Se 7.821000 5.214000 10.428000 -Zn 7.821000 5.214000 7.821000 -Se 10.428000 7.821000 10.428000 -Zn 10.428000 7.821000 7.821000 -Se 13.035000 10.428000 10.428000 -Zn 0.000000 5.214000 5.214000 -Se 2.607000 7.821000 7.821000 -Zn 2.607000 7.821000 5.214000 -Se 5.214000 10.428000 7.821000 -Zn 5.214000 10.428000 5.214000 -Se 7.821000 13.035000 7.821000 -Zn 2.607000 5.214000 7.821000 -Se 5.214000 7.821000 10.428000 -Zn 5.214000 7.821000 7.821000 -Se 7.821000 10.428000 10.428000 -Zn 7.821000 10.428000 7.821000 -Se 10.428000 13.035000 10.428000 -Zn 5.214000 5.214000 10.428000 -Se 7.821000 7.821000 13.035000 -Zn 7.821000 7.821000 10.428000 -Se 10.428000 10.428000 13.035000 -Zn 10.428000 10.428000 10.428000 -Se 13.035000 13.035000 13.035000 diff --git a/data/compressed_sensing/structures/RS_structures/Si2.xyz b/data/compressed_sensing/structures/RS_structures/Si2.xyz deleted file mode 100644 index b9ae316f14c7ba41e2719cc41f0c87e105c11d11..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/Si2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Si 0.000000 0.000000 0.000000 -Si 2.497500 2.497500 2.497500 -Si 2.497500 2.497500 0.000000 -Si 4.995000 4.995000 2.497500 -Si 4.995000 4.995000 0.000000 -Si 7.492500 7.492500 2.497500 -Si 2.497500 0.000000 2.497500 -Si 4.995000 2.497500 4.995000 -Si 4.995000 2.497500 2.497500 -Si 7.492500 4.995000 4.995000 -Si 7.492500 4.995000 2.497500 -Si 9.990000 7.492500 4.995000 -Si 4.995000 0.000000 4.995000 -Si 7.492500 2.497500 7.492500 -Si 7.492500 2.497500 4.995000 -Si 9.990000 4.995000 7.492500 -Si 9.990000 4.995000 4.995000 -Si 12.487500 7.492500 7.492500 -Si 0.000000 2.497500 2.497500 -Si 2.497500 4.995000 4.995000 -Si 2.497500 4.995000 2.497500 -Si 4.995000 7.492500 4.995000 -Si 4.995000 7.492500 2.497500 -Si 7.492500 9.990000 4.995000 -Si 2.497500 2.497500 4.995000 -Si 4.995000 4.995000 7.492500 -Si 4.995000 4.995000 4.995000 -Si 7.492500 7.492500 7.492500 -Si 7.492500 7.492500 4.995000 -Si 9.990000 9.990000 7.492500 -Si 4.995000 2.497500 7.492500 -Si 7.492500 4.995000 9.990000 -Si 7.492500 4.995000 7.492500 -Si 9.990000 7.492500 9.990000 -Si 9.990000 7.492500 7.492500 -Si 12.487500 9.990000 9.990000 -Si 0.000000 4.995000 4.995000 -Si 2.497500 7.492500 7.492500 -Si 2.497500 7.492500 4.995000 -Si 4.995000 9.990000 7.492500 -Si 4.995000 9.990000 4.995000 -Si 7.492500 12.487500 7.492500 -Si 2.497500 4.995000 7.492500 -Si 4.995000 7.492500 9.990000 -Si 4.995000 7.492500 7.492500 -Si 7.492500 9.990000 9.990000 -Si 7.492500 9.990000 7.492500 -Si 9.990000 12.487500 9.990000 -Si 4.995000 4.995000 9.990000 -Si 7.492500 7.492500 12.487500 -Si 7.492500 7.492500 9.990000 -Si 9.990000 9.990000 12.487500 -Si 9.990000 9.990000 9.990000 -Si 12.487500 12.487500 12.487500 diff --git a/data/compressed_sensing/structures/RS_structures/SiSn.xyz b/data/compressed_sensing/structures/RS_structures/SiSn.xyz deleted file mode 100644 index e4af73f0507c4e125893aded73dff9053f758838..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/SiSn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -Si 2.769500 2.769500 2.769500 -Sn 2.769500 2.769500 0.000000 -Si 5.539000 5.539000 2.769500 -Sn 5.539000 5.539000 0.000000 -Si 8.308500 8.308500 2.769500 -Sn 2.769500 0.000000 2.769500 -Si 5.539000 2.769500 5.539000 -Sn 5.539000 2.769500 2.769500 -Si 8.308500 5.539000 5.539000 -Sn 8.308500 5.539000 2.769500 -Si 11.078000 8.308500 5.539000 -Sn 5.539000 0.000000 5.539000 -Si 8.308500 2.769500 8.308500 -Sn 8.308500 2.769500 5.539000 -Si 11.078000 5.539000 8.308500 -Sn 11.078000 5.539000 5.539000 -Si 13.847500 8.308500 8.308500 -Sn 0.000000 2.769500 2.769500 -Si 2.769500 5.539000 5.539000 -Sn 2.769500 5.539000 2.769500 -Si 5.539000 8.308500 5.539000 -Sn 5.539000 8.308500 2.769500 -Si 8.308500 11.078000 5.539000 -Sn 2.769500 2.769500 5.539000 -Si 5.539000 5.539000 8.308500 -Sn 5.539000 5.539000 5.539000 -Si 8.308500 8.308500 8.308500 -Sn 8.308500 8.308500 5.539000 -Si 11.078000 11.078000 8.308500 -Sn 5.539000 2.769500 8.308500 -Si 8.308500 5.539000 11.078000 -Sn 8.308500 5.539000 8.308500 -Si 11.078000 8.308500 11.078000 -Sn 11.078000 8.308500 8.308500 -Si 13.847500 11.078000 11.078000 -Sn 0.000000 5.539000 5.539000 -Si 2.769500 8.308500 8.308500 -Sn 2.769500 8.308500 5.539000 -Si 5.539000 11.078000 8.308500 -Sn 5.539000 11.078000 5.539000 -Si 8.308500 13.847500 8.308500 -Sn 2.769500 5.539000 8.308500 -Si 5.539000 8.308500 11.078000 -Sn 5.539000 8.308500 8.308500 -Si 8.308500 11.078000 11.078000 -Sn 8.308500 11.078000 8.308500 -Si 11.078000 13.847500 11.078000 -Sn 5.539000 5.539000 11.078000 -Si 8.308500 8.308500 13.847500 -Sn 8.308500 8.308500 11.078000 -Si 11.078000 11.078000 13.847500 -Sn 11.078000 11.078000 11.078000 -Si 13.847500 13.847500 13.847500 diff --git a/data/compressed_sensing/structures/RS_structures/Sn2.xyz b/data/compressed_sensing/structures/RS_structures/Sn2.xyz deleted file mode 100644 index 5795b16a37ecbf7aeba0ed6b8bf1dd116c69f98a..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/Sn2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -Sn 3.004500 3.004500 3.004500 -Sn 3.004500 3.004500 0.000000 -Sn 6.009000 6.009000 3.004500 -Sn 6.009000 6.009000 0.000000 -Sn 9.013500 9.013500 3.004500 -Sn 3.004500 0.000000 3.004500 -Sn 6.009000 3.004500 6.009000 -Sn 6.009000 3.004500 3.004500 -Sn 9.013500 6.009000 6.009000 -Sn 9.013500 6.009000 3.004500 -Sn 12.018000 9.013500 6.009000 -Sn 6.009000 0.000000 6.009000 -Sn 9.013500 3.004500 9.013500 -Sn 9.013500 3.004500 6.009000 -Sn 12.018000 6.009000 9.013500 -Sn 12.018000 6.009000 6.009000 -Sn 15.022500 9.013500 9.013500 -Sn 0.000000 3.004500 3.004500 -Sn 3.004500 6.009000 6.009000 -Sn 3.004500 6.009000 3.004500 -Sn 6.009000 9.013500 6.009000 -Sn 6.009000 9.013500 3.004500 -Sn 9.013500 12.018000 6.009000 -Sn 3.004500 3.004500 6.009000 -Sn 6.009000 6.009000 9.013500 -Sn 6.009000 6.009000 6.009000 -Sn 9.013500 9.013500 9.013500 -Sn 9.013500 9.013500 6.009000 -Sn 12.018000 12.018000 9.013500 -Sn 6.009000 3.004500 9.013500 -Sn 9.013500 6.009000 12.018000 -Sn 9.013500 6.009000 9.013500 -Sn 12.018000 9.013500 12.018000 -Sn 12.018000 9.013500 9.013500 -Sn 15.022500 12.018000 12.018000 -Sn 0.000000 6.009000 6.009000 -Sn 3.004500 9.013500 9.013500 -Sn 3.004500 9.013500 6.009000 -Sn 6.009000 12.018000 9.013500 -Sn 6.009000 12.018000 6.009000 -Sn 9.013500 15.022500 9.013500 -Sn 3.004500 6.009000 9.013500 -Sn 6.009000 9.013500 12.018000 -Sn 6.009000 9.013500 9.013500 -Sn 9.013500 12.018000 12.018000 -Sn 9.013500 12.018000 9.013500 -Sn 12.018000 15.022500 12.018000 -Sn 6.009000 6.009000 12.018000 -Sn 9.013500 9.013500 15.022500 -Sn 9.013500 9.013500 12.018000 -Sn 12.018000 12.018000 15.022500 -Sn 12.018000 12.018000 12.018000 -Sn 15.022500 15.022500 15.022500 diff --git a/data/compressed_sensing/structures/RS_structures/SrTe.xyz b/data/compressed_sensing/structures/RS_structures/SrTe.xyz deleted file mode 100644 index 6aa7e23628bc5ba11ffd9cbd71ccc1db9d288982..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/SrTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -Te 3.263500 3.263500 3.263500 -Sr 3.263500 3.263500 0.000000 -Te 6.527000 6.527000 3.263500 -Sr 6.527000 6.527000 0.000000 -Te 9.790500 9.790500 3.263500 -Sr 3.263500 0.000000 3.263500 -Te 6.527000 3.263500 6.527000 -Sr 6.527000 3.263500 3.263500 -Te 9.790500 6.527000 6.527000 -Sr 9.790500 6.527000 3.263500 -Te 13.054000 9.790500 6.527000 -Sr 6.527000 0.000000 6.527000 -Te 9.790500 3.263500 9.790500 -Sr 9.790500 3.263500 6.527000 -Te 13.054000 6.527000 9.790500 -Sr 13.054000 6.527000 6.527000 -Te 16.317500 9.790500 9.790500 -Sr 0.000000 3.263500 3.263500 -Te 3.263500 6.527000 6.527000 -Sr 3.263500 6.527000 3.263500 -Te 6.527000 9.790500 6.527000 -Sr 6.527000 9.790500 3.263500 -Te 9.790500 13.054000 6.527000 -Sr 3.263500 3.263500 6.527000 -Te 6.527000 6.527000 9.790500 -Sr 6.527000 6.527000 6.527000 -Te 9.790500 9.790500 9.790500 -Sr 9.790500 9.790500 6.527000 -Te 13.054000 13.054000 9.790500 -Sr 6.527000 3.263500 9.790500 -Te 9.790500 6.527000 13.054000 -Sr 9.790500 6.527000 9.790500 -Te 13.054000 9.790500 13.054000 -Sr 13.054000 9.790500 9.790500 -Te 16.317500 13.054000 13.054000 -Sr 0.000000 6.527000 6.527000 -Te 3.263500 9.790500 9.790500 -Sr 3.263500 9.790500 6.527000 -Te 6.527000 13.054000 9.790500 -Sr 6.527000 13.054000 6.527000 -Te 9.790500 16.317500 9.790500 -Sr 3.263500 6.527000 9.790500 -Te 6.527000 9.790500 13.054000 -Sr 6.527000 9.790500 9.790500 -Te 9.790500 13.054000 13.054000 -Sr 9.790500 13.054000 9.790500 -Te 13.054000 16.317500 13.054000 -Sr 6.527000 6.527000 13.054000 -Te 9.790500 9.790500 16.317500 -Sr 9.790500 9.790500 13.054000 -Te 13.054000 13.054000 16.317500 -Sr 13.054000 13.054000 13.054000 -Te 16.317500 16.317500 16.317500 diff --git a/data/compressed_sensing/structures/RS_structures/TeZn.xyz b/data/compressed_sensing/structures/RS_structures/TeZn.xyz deleted file mode 100644 index f571f9771b00aaa024aa8798c199ad786c7b27f5..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/RS_structures/TeZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -Te 2.798500 2.798500 2.798500 -Zn 2.798500 2.798500 0.000000 -Te 5.597000 5.597000 2.798500 -Zn 5.597000 5.597000 0.000000 -Te 8.395500 8.395500 2.798500 -Zn 2.798500 0.000000 2.798500 -Te 5.597000 2.798500 5.597000 -Zn 5.597000 2.798500 2.798500 -Te 8.395500 5.597000 5.597000 -Zn 8.395500 5.597000 2.798500 -Te 11.194000 8.395500 5.597000 -Zn 5.597000 0.000000 5.597000 -Te 8.395500 2.798500 8.395500 -Zn 8.395500 2.798500 5.597000 -Te 11.194000 5.597000 8.395500 -Zn 11.194000 5.597000 5.597000 -Te 13.992500 8.395500 8.395500 -Zn 0.000000 2.798500 2.798500 -Te 2.798500 5.597000 5.597000 -Zn 2.798500 5.597000 2.798500 -Te 5.597000 8.395500 5.597000 -Zn 5.597000 8.395500 2.798500 -Te 8.395500 11.194000 5.597000 -Zn 2.798500 2.798500 5.597000 -Te 5.597000 5.597000 8.395500 -Zn 5.597000 5.597000 5.597000 -Te 8.395500 8.395500 8.395500 -Zn 8.395500 8.395500 5.597000 -Te 11.194000 11.194000 8.395500 -Zn 5.597000 2.798500 8.395500 -Te 8.395500 5.597000 11.194000 -Zn 8.395500 5.597000 8.395500 -Te 11.194000 8.395500 11.194000 -Zn 11.194000 8.395500 8.395500 -Te 13.992500 11.194000 11.194000 -Zn 0.000000 5.597000 5.597000 -Te 2.798500 8.395500 8.395500 -Zn 2.798500 8.395500 5.597000 -Te 5.597000 11.194000 8.395500 -Zn 5.597000 11.194000 5.597000 -Te 8.395500 13.992500 8.395500 -Zn 2.798500 5.597000 8.395500 -Te 5.597000 8.395500 11.194000 -Zn 5.597000 8.395500 8.395500 -Te 8.395500 11.194000 11.194000 -Zn 8.395500 11.194000 8.395500 -Te 11.194000 13.992500 11.194000 -Zn 5.597000 5.597000 11.194000 -Te 8.395500 8.395500 13.992500 -Zn 8.395500 8.395500 11.194000 -Te 11.194000 11.194000 13.992500 -Zn 11.194000 11.194000 11.194000 -Te 13.992500 13.992500 13.992500 diff --git a/data/compressed_sensing/structures/ZB_structures/AgBr.xyz b/data/compressed_sensing/structures/ZB_structures/AgBr.xyz deleted file mode 100644 index 494ae83e27c4c43b49ce98c387e0c4a133d08587..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AgBr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -Br 1.508750 1.508750 1.508750 -Ag 3.017500 3.017500 0.000000 -Br 4.526250 4.526250 1.508750 -Ag 6.035000 6.035000 0.000000 -Br 7.543750 7.543750 1.508750 -Ag 3.017500 0.000000 3.017500 -Br 4.526250 1.508750 4.526250 -Ag 6.035000 3.017500 3.017500 -Br 7.543750 4.526250 4.526250 -Ag 9.052500 6.035000 3.017500 -Br 10.561250 7.543750 4.526250 -Ag 6.035000 0.000000 6.035000 -Br 7.543750 1.508750 7.543750 -Ag 9.052500 3.017500 6.035000 -Br 10.561250 4.526250 7.543750 -Ag 12.070000 6.035000 6.035000 -Br 13.578750 7.543750 7.543750 -Ag 0.000000 3.017500 3.017500 -Br 1.508750 4.526250 4.526250 -Ag 3.017500 6.035000 3.017500 -Br 4.526250 7.543750 4.526250 -Ag 6.035000 9.052500 3.017500 -Br 7.543750 10.561250 4.526250 -Ag 3.017500 3.017500 6.035000 -Br 4.526250 4.526250 7.543750 -Ag 6.035000 6.035000 6.035000 -Br 7.543750 7.543750 7.543750 -Ag 9.052500 9.052500 6.035000 -Br 10.561250 10.561250 7.543750 -Ag 6.035000 3.017500 9.052500 -Br 7.543750 4.526250 10.561250 -Ag 9.052500 6.035000 9.052500 -Br 10.561250 7.543750 10.561250 -Ag 12.070000 9.052500 9.052500 -Br 13.578750 10.561250 10.561250 -Ag 0.000000 6.035000 6.035000 -Br 1.508750 7.543750 7.543750 -Ag 3.017500 9.052500 6.035000 -Br 4.526250 10.561250 7.543750 -Ag 6.035000 12.070000 6.035000 -Br 7.543750 13.578750 7.543750 -Ag 3.017500 6.035000 9.052500 -Br 4.526250 7.543750 10.561250 -Ag 6.035000 9.052500 9.052500 -Br 7.543750 10.561250 10.561250 -Ag 9.052500 12.070000 9.052500 -Br 10.561250 13.578750 10.561250 -Ag 6.035000 6.035000 12.070000 -Br 7.543750 7.543750 13.578750 -Ag 9.052500 9.052500 12.070000 -Br 10.561250 10.561250 13.578750 -Ag 12.070000 12.070000 12.070000 -Br 13.578750 13.578750 13.578750 diff --git a/data/compressed_sensing/structures/ZB_structures/AgCl.xyz b/data/compressed_sensing/structures/ZB_structures/AgCl.xyz deleted file mode 100644 index eeabd00483eeb6a7e2102b2537dfc047e9a789ed..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AgCl.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -Cl 1.445000 1.445000 1.445000 -Ag 2.890000 2.890000 0.000000 -Cl 4.335000 4.335000 1.445000 -Ag 5.780000 5.780000 0.000000 -Cl 7.225000 7.225000 1.445000 -Ag 2.890000 0.000000 2.890000 -Cl 4.335000 1.445000 4.335000 -Ag 5.780000 2.890000 2.890000 -Cl 7.225000 4.335000 4.335000 -Ag 8.670000 5.780000 2.890000 -Cl 10.115000 7.225000 4.335000 -Ag 5.780000 0.000000 5.780000 -Cl 7.225000 1.445000 7.225000 -Ag 8.670000 2.890000 5.780000 -Cl 10.115000 4.335000 7.225000 -Ag 11.560000 5.780000 5.780000 -Cl 13.005000 7.225000 7.225000 -Ag 0.000000 2.890000 2.890000 -Cl 1.445000 4.335000 4.335000 -Ag 2.890000 5.780000 2.890000 -Cl 4.335000 7.225000 4.335000 -Ag 5.780000 8.670000 2.890000 -Cl 7.225000 10.115000 4.335000 -Ag 2.890000 2.890000 5.780000 -Cl 4.335000 4.335000 7.225000 -Ag 5.780000 5.780000 5.780000 -Cl 7.225000 7.225000 7.225000 -Ag 8.670000 8.670000 5.780000 -Cl 10.115000 10.115000 7.225000 -Ag 5.780000 2.890000 8.670000 -Cl 7.225000 4.335000 10.115000 -Ag 8.670000 5.780000 8.670000 -Cl 10.115000 7.225000 10.115000 -Ag 11.560000 8.670000 8.670000 -Cl 13.005000 10.115000 10.115000 -Ag 0.000000 5.780000 5.780000 -Cl 1.445000 7.225000 7.225000 -Ag 2.890000 8.670000 5.780000 -Cl 4.335000 10.115000 7.225000 -Ag 5.780000 11.560000 5.780000 -Cl 7.225000 13.005000 7.225000 -Ag 2.890000 5.780000 8.670000 -Cl 4.335000 7.225000 10.115000 -Ag 5.780000 8.670000 8.670000 -Cl 7.225000 10.115000 10.115000 -Ag 8.670000 11.560000 8.670000 -Cl 10.115000 13.005000 10.115000 -Ag 5.780000 5.780000 11.560000 -Cl 7.225000 7.225000 13.005000 -Ag 8.670000 8.670000 11.560000 -Cl 10.115000 10.115000 13.005000 -Ag 11.560000 11.560000 11.560000 -Cl 13.005000 13.005000 13.005000 diff --git a/data/compressed_sensing/structures/ZB_structures/AgF.xyz b/data/compressed_sensing/structures/ZB_structures/AgF.xyz deleted file mode 100644 index f52b3992812625183f4a1d7e646a1715c8e9f5db..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AgF.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -F 1.300500 1.300500 1.300500 -Ag 2.601000 2.601000 0.000000 -F 3.901500 3.901500 1.300500 -Ag 5.202000 5.202000 0.000000 -F 6.502500 6.502500 1.300500 -Ag 2.601000 0.000000 2.601000 -F 3.901500 1.300500 3.901500 -Ag 5.202000 2.601000 2.601000 -F 6.502500 3.901500 3.901500 -Ag 7.803000 5.202000 2.601000 -F 9.103500 6.502500 3.901500 -Ag 5.202000 0.000000 5.202000 -F 6.502500 1.300500 6.502500 -Ag 7.803000 2.601000 5.202000 -F 9.103500 3.901500 6.502500 -Ag 10.404000 5.202000 5.202000 -F 11.704500 6.502500 6.502500 -Ag 0.000000 2.601000 2.601000 -F 1.300500 3.901500 3.901500 -Ag 2.601000 5.202000 2.601000 -F 3.901500 6.502500 3.901500 -Ag 5.202000 7.803000 2.601000 -F 6.502500 9.103500 3.901500 -Ag 2.601000 2.601000 5.202000 -F 3.901500 3.901500 6.502500 -Ag 5.202000 5.202000 5.202000 -F 6.502500 6.502500 6.502500 -Ag 7.803000 7.803000 5.202000 -F 9.103500 9.103500 6.502500 -Ag 5.202000 2.601000 7.803000 -F 6.502500 3.901500 9.103500 -Ag 7.803000 5.202000 7.803000 -F 9.103500 6.502500 9.103500 -Ag 10.404000 7.803000 7.803000 -F 11.704500 9.103500 9.103500 -Ag 0.000000 5.202000 5.202000 -F 1.300500 6.502500 6.502500 -Ag 2.601000 7.803000 5.202000 -F 3.901500 9.103500 6.502500 -Ag 5.202000 10.404000 5.202000 -F 6.502500 11.704500 6.502500 -Ag 2.601000 5.202000 7.803000 -F 3.901500 6.502500 9.103500 -Ag 5.202000 7.803000 7.803000 -F 6.502500 9.103500 9.103500 -Ag 7.803000 10.404000 7.803000 -F 9.103500 11.704500 9.103500 -Ag 5.202000 5.202000 10.404000 -F 6.502500 6.502500 11.704500 -Ag 7.803000 7.803000 10.404000 -F 9.103500 9.103500 11.704500 -Ag 10.404000 10.404000 10.404000 -F 11.704500 11.704500 11.704500 diff --git a/data/compressed_sensing/structures/ZB_structures/AgI.xyz b/data/compressed_sensing/structures/ZB_structures/AgI.xyz deleted file mode 100644 index 7220f427908961b9cc80068b9f10f69ed1c06df2..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AgI.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ag 0.000000 0.000000 0.000000 -I 1.588750 1.588750 1.588750 -Ag 3.177500 3.177500 0.000000 -I 4.766250 4.766250 1.588750 -Ag 6.355000 6.355000 0.000000 -I 7.943750 7.943750 1.588750 -Ag 3.177500 0.000000 3.177500 -I 4.766250 1.588750 4.766250 -Ag 6.355000 3.177500 3.177500 -I 7.943750 4.766250 4.766250 -Ag 9.532500 6.355000 3.177500 -I 11.121250 7.943750 4.766250 -Ag 6.355000 0.000000 6.355000 -I 7.943750 1.588750 7.943750 -Ag 9.532500 3.177500 6.355000 -I 11.121250 4.766250 7.943750 -Ag 12.710000 6.355000 6.355000 -I 14.298750 7.943750 7.943750 -Ag 0.000000 3.177500 3.177500 -I 1.588750 4.766250 4.766250 -Ag 3.177500 6.355000 3.177500 -I 4.766250 7.943750 4.766250 -Ag 6.355000 9.532500 3.177500 -I 7.943750 11.121250 4.766250 -Ag 3.177500 3.177500 6.355000 -I 4.766250 4.766250 7.943750 -Ag 6.355000 6.355000 6.355000 -I 7.943750 7.943750 7.943750 -Ag 9.532500 9.532500 6.355000 -I 11.121250 11.121250 7.943750 -Ag 6.355000 3.177500 9.532500 -I 7.943750 4.766250 11.121250 -Ag 9.532500 6.355000 9.532500 -I 11.121250 7.943750 11.121250 -Ag 12.710000 9.532500 9.532500 -I 14.298750 11.121250 11.121250 -Ag 0.000000 6.355000 6.355000 -I 1.588750 7.943750 7.943750 -Ag 3.177500 9.532500 6.355000 -I 4.766250 11.121250 7.943750 -Ag 6.355000 12.710000 6.355000 -I 7.943750 14.298750 7.943750 -Ag 3.177500 6.355000 9.532500 -I 4.766250 7.943750 11.121250 -Ag 6.355000 9.532500 9.532500 -I 7.943750 11.121250 11.121250 -Ag 9.532500 12.710000 9.532500 -I 11.121250 14.298750 11.121250 -Ag 6.355000 6.355000 12.710000 -I 7.943750 7.943750 14.298750 -Ag 9.532500 9.532500 12.710000 -I 11.121250 11.121250 14.298750 -Ag 12.710000 12.710000 12.710000 -I 14.298750 14.298750 14.298750 diff --git a/data/compressed_sensing/structures/ZB_structures/AlAs.xyz b/data/compressed_sensing/structures/ZB_structures/AlAs.xyz deleted file mode 100644 index 2b5ee736912be171fdac7d20049d09a1fd1f40c9..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AlAs.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -As 1.408000 1.408000 1.408000 -Al 2.816000 2.816000 0.000000 -As 4.224000 4.224000 1.408000 -Al 5.632000 5.632000 0.000000 -As 7.040000 7.040000 1.408000 -Al 2.816000 0.000000 2.816000 -As 4.224000 1.408000 4.224000 -Al 5.632000 2.816000 2.816000 -As 7.040000 4.224000 4.224000 -Al 8.448000 5.632000 2.816000 -As 9.856000 7.040000 4.224000 -Al 5.632000 0.000000 5.632000 -As 7.040000 1.408000 7.040000 -Al 8.448000 2.816000 5.632000 -As 9.856000 4.224000 7.040000 -Al 11.264000 5.632000 5.632000 -As 12.672000 7.040000 7.040000 -Al 0.000000 2.816000 2.816000 -As 1.408000 4.224000 4.224000 -Al 2.816000 5.632000 2.816000 -As 4.224000 7.040000 4.224000 -Al 5.632000 8.448000 2.816000 -As 7.040000 9.856000 4.224000 -Al 2.816000 2.816000 5.632000 -As 4.224000 4.224000 7.040000 -Al 5.632000 5.632000 5.632000 -As 7.040000 7.040000 7.040000 -Al 8.448000 8.448000 5.632000 -As 9.856000 9.856000 7.040000 -Al 5.632000 2.816000 8.448000 -As 7.040000 4.224000 9.856000 -Al 8.448000 5.632000 8.448000 -As 9.856000 7.040000 9.856000 -Al 11.264000 8.448000 8.448000 -As 12.672000 9.856000 9.856000 -Al 0.000000 5.632000 5.632000 -As 1.408000 7.040000 7.040000 -Al 2.816000 8.448000 5.632000 -As 4.224000 9.856000 7.040000 -Al 5.632000 11.264000 5.632000 -As 7.040000 12.672000 7.040000 -Al 2.816000 5.632000 8.448000 -As 4.224000 7.040000 9.856000 -Al 5.632000 8.448000 8.448000 -As 7.040000 9.856000 9.856000 -Al 8.448000 11.264000 8.448000 -As 9.856000 12.672000 9.856000 -Al 5.632000 5.632000 11.264000 -As 7.040000 7.040000 12.672000 -Al 8.448000 8.448000 11.264000 -As 9.856000 9.856000 12.672000 -Al 11.264000 11.264000 11.264000 -As 12.672000 12.672000 12.672000 diff --git a/data/compressed_sensing/structures/ZB_structures/AlN.xyz b/data/compressed_sensing/structures/ZB_structures/AlN.xyz deleted file mode 100644 index 013f08e738f404185b46ef6919ccc22dc5ef7fb1..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AlN.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -N 1.086250 1.086250 1.086250 -Al 2.172500 2.172500 0.000000 -N 3.258750 3.258750 1.086250 -Al 4.345000 4.345000 0.000000 -N 5.431250 5.431250 1.086250 -Al 2.172500 0.000000 2.172500 -N 3.258750 1.086250 3.258750 -Al 4.345000 2.172500 2.172500 -N 5.431250 3.258750 3.258750 -Al 6.517500 4.345000 2.172500 -N 7.603750 5.431250 3.258750 -Al 4.345000 0.000000 4.345000 -N 5.431250 1.086250 5.431250 -Al 6.517500 2.172500 4.345000 -N 7.603750 3.258750 5.431250 -Al 8.690000 4.345000 4.345000 -N 9.776250 5.431250 5.431250 -Al 0.000000 2.172500 2.172500 -N 1.086250 3.258750 3.258750 -Al 2.172500 4.345000 2.172500 -N 3.258750 5.431250 3.258750 -Al 4.345000 6.517500 2.172500 -N 5.431250 7.603750 3.258750 -Al 2.172500 2.172500 4.345000 -N 3.258750 3.258750 5.431250 -Al 4.345000 4.345000 4.345000 -N 5.431250 5.431250 5.431250 -Al 6.517500 6.517500 4.345000 -N 7.603750 7.603750 5.431250 -Al 4.345000 2.172500 6.517500 -N 5.431250 3.258750 7.603750 -Al 6.517500 4.345000 6.517500 -N 7.603750 5.431250 7.603750 -Al 8.690000 6.517500 6.517500 -N 9.776250 7.603750 7.603750 -Al 0.000000 4.345000 4.345000 -N 1.086250 5.431250 5.431250 -Al 2.172500 6.517500 4.345000 -N 3.258750 7.603750 5.431250 -Al 4.345000 8.690000 4.345000 -N 5.431250 9.776250 5.431250 -Al 2.172500 4.345000 6.517500 -N 3.258750 5.431250 7.603750 -Al 4.345000 6.517500 6.517500 -N 5.431250 7.603750 7.603750 -Al 6.517500 8.690000 6.517500 -N 7.603750 9.776250 7.603750 -Al 4.345000 4.345000 8.690000 -N 5.431250 5.431250 9.776250 -Al 6.517500 6.517500 8.690000 -N 7.603750 7.603750 9.776250 -Al 8.690000 8.690000 8.690000 -N 9.776250 9.776250 9.776250 diff --git a/data/compressed_sensing/structures/ZB_structures/AlP.xyz b/data/compressed_sensing/structures/ZB_structures/AlP.xyz deleted file mode 100644 index 2ff326b3afe8ee9ebb1c8d61953de2c041d2d8e2..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AlP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -P 1.359000 1.359000 1.359000 -Al 2.718000 2.718000 0.000000 -P 4.077000 4.077000 1.359000 -Al 5.436000 5.436000 0.000000 -P 6.795000 6.795000 1.359000 -Al 2.718000 0.000000 2.718000 -P 4.077000 1.359000 4.077000 -Al 5.436000 2.718000 2.718000 -P 6.795000 4.077000 4.077000 -Al 8.154000 5.436000 2.718000 -P 9.513000 6.795000 4.077000 -Al 5.436000 0.000000 5.436000 -P 6.795000 1.359000 6.795000 -Al 8.154000 2.718000 5.436000 -P 9.513000 4.077000 6.795000 -Al 10.872000 5.436000 5.436000 -P 12.231000 6.795000 6.795000 -Al 0.000000 2.718000 2.718000 -P 1.359000 4.077000 4.077000 -Al 2.718000 5.436000 2.718000 -P 4.077000 6.795000 4.077000 -Al 5.436000 8.154000 2.718000 -P 6.795000 9.513000 4.077000 -Al 2.718000 2.718000 5.436000 -P 4.077000 4.077000 6.795000 -Al 5.436000 5.436000 5.436000 -P 6.795000 6.795000 6.795000 -Al 8.154000 8.154000 5.436000 -P 9.513000 9.513000 6.795000 -Al 5.436000 2.718000 8.154000 -P 6.795000 4.077000 9.513000 -Al 8.154000 5.436000 8.154000 -P 9.513000 6.795000 9.513000 -Al 10.872000 8.154000 8.154000 -P 12.231000 9.513000 9.513000 -Al 0.000000 5.436000 5.436000 -P 1.359000 6.795000 6.795000 -Al 2.718000 8.154000 5.436000 -P 4.077000 9.513000 6.795000 -Al 5.436000 10.872000 5.436000 -P 6.795000 12.231000 6.795000 -Al 2.718000 5.436000 8.154000 -P 4.077000 6.795000 9.513000 -Al 5.436000 8.154000 8.154000 -P 6.795000 9.513000 9.513000 -Al 8.154000 10.872000 8.154000 -P 9.513000 12.231000 9.513000 -Al 5.436000 5.436000 10.872000 -P 6.795000 6.795000 12.231000 -Al 8.154000 8.154000 10.872000 -P 9.513000 9.513000 12.231000 -Al 10.872000 10.872000 10.872000 -P 12.231000 12.231000 12.231000 diff --git a/data/compressed_sensing/structures/ZB_structures/AlSb.xyz b/data/compressed_sensing/structures/ZB_structures/AlSb.xyz deleted file mode 100644 index c4afd56682cf32fdeca06ef6fbd3bed7e64afccb..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AlSb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Al 0.000000 0.000000 0.000000 -Sb 1.528000 1.528000 1.528000 -Al 3.056000 3.056000 0.000000 -Sb 4.584000 4.584000 1.528000 -Al 6.112000 6.112000 0.000000 -Sb 7.640000 7.640000 1.528000 -Al 3.056000 0.000000 3.056000 -Sb 4.584000 1.528000 4.584000 -Al 6.112000 3.056000 3.056000 -Sb 7.640000 4.584000 4.584000 -Al 9.168000 6.112000 3.056000 -Sb 10.696000 7.640000 4.584000 -Al 6.112000 0.000000 6.112000 -Sb 7.640000 1.528000 7.640000 -Al 9.168000 3.056000 6.112000 -Sb 10.696000 4.584000 7.640000 -Al 12.224000 6.112000 6.112000 -Sb 13.752000 7.640000 7.640000 -Al 0.000000 3.056000 3.056000 -Sb 1.528000 4.584000 4.584000 -Al 3.056000 6.112000 3.056000 -Sb 4.584000 7.640000 4.584000 -Al 6.112000 9.168000 3.056000 -Sb 7.640000 10.696000 4.584000 -Al 3.056000 3.056000 6.112000 -Sb 4.584000 4.584000 7.640000 -Al 6.112000 6.112000 6.112000 -Sb 7.640000 7.640000 7.640000 -Al 9.168000 9.168000 6.112000 -Sb 10.696000 10.696000 7.640000 -Al 6.112000 3.056000 9.168000 -Sb 7.640000 4.584000 10.696000 -Al 9.168000 6.112000 9.168000 -Sb 10.696000 7.640000 10.696000 -Al 12.224000 9.168000 9.168000 -Sb 13.752000 10.696000 10.696000 -Al 0.000000 6.112000 6.112000 -Sb 1.528000 7.640000 7.640000 -Al 3.056000 9.168000 6.112000 -Sb 4.584000 10.696000 7.640000 -Al 6.112000 12.224000 6.112000 -Sb 7.640000 13.752000 7.640000 -Al 3.056000 6.112000 9.168000 -Sb 4.584000 7.640000 10.696000 -Al 6.112000 9.168000 9.168000 -Sb 7.640000 10.696000 10.696000 -Al 9.168000 12.224000 9.168000 -Sb 10.696000 13.752000 10.696000 -Al 6.112000 6.112000 12.224000 -Sb 7.640000 7.640000 13.752000 -Al 9.168000 9.168000 12.224000 -Sb 10.696000 10.696000 13.752000 -Al 12.224000 12.224000 12.224000 -Sb 13.752000 13.752000 13.752000 diff --git a/data/compressed_sensing/structures/ZB_structures/AsB.xyz b/data/compressed_sensing/structures/ZB_structures/AsB.xyz deleted file mode 100644 index 8459faf74e93d343e661ae5fee2b1c1b8f82bdc5..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AsB.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -B 0.000000 0.000000 0.000000 -As 1.183500 1.183500 1.183500 -B 2.367000 2.367000 0.000000 -As 3.550500 3.550500 1.183500 -B 4.734000 4.734000 0.000000 -As 5.917500 5.917500 1.183500 -B 2.367000 0.000000 2.367000 -As 3.550500 1.183500 3.550500 -B 4.734000 2.367000 2.367000 -As 5.917500 3.550500 3.550500 -B 7.101000 4.734000 2.367000 -As 8.284500 5.917500 3.550500 -B 4.734000 0.000000 4.734000 -As 5.917500 1.183500 5.917500 -B 7.101000 2.367000 4.734000 -As 8.284500 3.550500 5.917500 -B 9.468000 4.734000 4.734000 -As 10.651500 5.917500 5.917500 -B 0.000000 2.367000 2.367000 -As 1.183500 3.550500 3.550500 -B 2.367000 4.734000 2.367000 -As 3.550500 5.917500 3.550500 -B 4.734000 7.101000 2.367000 -As 5.917500 8.284500 3.550500 -B 2.367000 2.367000 4.734000 -As 3.550500 3.550500 5.917500 -B 4.734000 4.734000 4.734000 -As 5.917500 5.917500 5.917500 -B 7.101000 7.101000 4.734000 -As 8.284500 8.284500 5.917500 -B 4.734000 2.367000 7.101000 -As 5.917500 3.550500 8.284500 -B 7.101000 4.734000 7.101000 -As 8.284500 5.917500 8.284500 -B 9.468000 7.101000 7.101000 -As 10.651500 8.284500 8.284500 -B 0.000000 4.734000 4.734000 -As 1.183500 5.917500 5.917500 -B 2.367000 7.101000 4.734000 -As 3.550500 8.284500 5.917500 -B 4.734000 9.468000 4.734000 -As 5.917500 10.651500 5.917500 -B 2.367000 4.734000 7.101000 -As 3.550500 5.917500 8.284500 -B 4.734000 7.101000 7.101000 -As 5.917500 8.284500 8.284500 -B 7.101000 9.468000 7.101000 -As 8.284500 10.651500 8.284500 -B 4.734000 4.734000 9.468000 -As 5.917500 5.917500 10.651500 -B 7.101000 7.101000 9.468000 -As 8.284500 8.284500 10.651500 -B 9.468000 9.468000 9.468000 -As 10.651500 10.651500 10.651500 diff --git a/data/compressed_sensing/structures/ZB_structures/AsGa.xyz b/data/compressed_sensing/structures/ZB_structures/AsGa.xyz deleted file mode 100644 index 68f63b87110a6ffbcdd447df4335308cae991e73..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/AsGa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -As 1.401750 1.401750 1.401750 -Ga 2.803500 2.803500 0.000000 -As 4.205250 4.205250 1.401750 -Ga 5.607000 5.607000 0.000000 -As 7.008750 7.008750 1.401750 -Ga 2.803500 0.000000 2.803500 -As 4.205250 1.401750 4.205250 -Ga 5.607000 2.803500 2.803500 -As 7.008750 4.205250 4.205250 -Ga 8.410500 5.607000 2.803500 -As 9.812250 7.008750 4.205250 -Ga 5.607000 0.000000 5.607000 -As 7.008750 1.401750 7.008750 -Ga 8.410500 2.803500 5.607000 -As 9.812250 4.205250 7.008750 -Ga 11.214000 5.607000 5.607000 -As 12.615750 7.008750 7.008750 -Ga 0.000000 2.803500 2.803500 -As 1.401750 4.205250 4.205250 -Ga 2.803500 5.607000 2.803500 -As 4.205250 7.008750 4.205250 -Ga 5.607000 8.410500 2.803500 -As 7.008750 9.812250 4.205250 -Ga 2.803500 2.803500 5.607000 -As 4.205250 4.205250 7.008750 -Ga 5.607000 5.607000 5.607000 -As 7.008750 7.008750 7.008750 -Ga 8.410500 8.410500 5.607000 -As 9.812250 9.812250 7.008750 -Ga 5.607000 2.803500 8.410500 -As 7.008750 4.205250 9.812250 -Ga 8.410500 5.607000 8.410500 -As 9.812250 7.008750 9.812250 -Ga 11.214000 8.410500 8.410500 -As 12.615750 9.812250 9.812250 -Ga 0.000000 5.607000 5.607000 -As 1.401750 7.008750 7.008750 -Ga 2.803500 8.410500 5.607000 -As 4.205250 9.812250 7.008750 -Ga 5.607000 11.214000 5.607000 -As 7.008750 12.615750 7.008750 -Ga 2.803500 5.607000 8.410500 -As 4.205250 7.008750 9.812250 -Ga 5.607000 8.410500 8.410500 -As 7.008750 9.812250 9.812250 -Ga 8.410500 11.214000 8.410500 -As 9.812250 12.615750 9.812250 -Ga 5.607000 5.607000 11.214000 -As 7.008750 7.008750 12.615750 -Ga 8.410500 8.410500 11.214000 -As 9.812250 9.812250 12.615750 -Ga 11.214000 11.214000 11.214000 -As 12.615750 12.615750 12.615750 diff --git a/data/compressed_sensing/structures/ZB_structures/AsIn.xyz 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a/data/compressed_sensing/structures/ZB_structures/BP.xyz b/data/compressed_sensing/structures/ZB_structures/BP.xyz deleted file mode 100644 index 794dd7ca901bb26edba342986913bd763a934cd2..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -B 0.000000 0.000000 0.000000 -P 1.123000 1.123000 1.123000 -B 2.246000 2.246000 0.000000 -P 3.369000 3.369000 1.123000 -B 4.492000 4.492000 0.000000 -P 5.615000 5.615000 1.123000 -B 2.246000 0.000000 2.246000 -P 3.369000 1.123000 3.369000 -B 4.492000 2.246000 2.246000 -P 5.615000 3.369000 3.369000 -B 6.738000 4.492000 2.246000 -P 7.861000 5.615000 3.369000 -B 4.492000 0.000000 4.492000 -P 5.615000 1.123000 5.615000 -B 6.738000 2.246000 4.492000 -P 7.861000 3.369000 5.615000 -B 8.984000 4.492000 4.492000 -P 10.107000 5.615000 5.615000 -B 0.000000 2.246000 2.246000 -P 1.123000 3.369000 3.369000 -B 2.246000 4.492000 2.246000 -P 3.369000 5.615000 3.369000 -B 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a/data/compressed_sensing/structures/ZB_structures/BSb.xyz b/data/compressed_sensing/structures/ZB_structures/BSb.xyz deleted file mode 100644 index a59fe37a0854eecb917575b49add6f0da09cc940..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BSb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -B 0.000000 0.000000 0.000000 -Sb 1.296500 1.296500 1.296500 -B 2.593000 2.593000 0.000000 -Sb 3.889500 3.889500 1.296500 -B 5.186000 5.186000 0.000000 -Sb 6.482500 6.482500 1.296500 -B 2.593000 0.000000 2.593000 -Sb 3.889500 1.296500 3.889500 -B 5.186000 2.593000 2.593000 -Sb 6.482500 3.889500 3.889500 -B 7.779000 5.186000 2.593000 -Sb 9.075500 6.482500 3.889500 -B 5.186000 0.000000 5.186000 -Sb 6.482500 1.296500 6.482500 -B 7.779000 2.593000 5.186000 -Sb 9.075500 3.889500 6.482500 -B 10.372000 5.186000 5.186000 -Sb 11.668500 6.482500 6.482500 -B 0.000000 2.593000 2.593000 -Sb 1.296500 3.889500 3.889500 -B 2.593000 5.186000 2.593000 -Sb 3.889500 6.482500 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diff --git a/data/compressed_sensing/structures/ZB_structures/BaO.xyz b/data/compressed_sensing/structures/ZB_structures/BaO.xyz deleted file mode 100644 index e6ed9cb7e2620368470265d956b75397d21af351..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BaO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ba 0.000000 0.000000 0.000000 -O 1.448250 1.448250 1.448250 -Ba 2.896500 2.896500 0.000000 -O 4.344750 4.344750 1.448250 -Ba 5.793000 5.793000 0.000000 -O 7.241250 7.241250 1.448250 -Ba 2.896500 0.000000 2.896500 -O 4.344750 1.448250 4.344750 -Ba 5.793000 2.896500 2.896500 -O 7.241250 4.344750 4.344750 -Ba 8.689500 5.793000 2.896500 -O 10.137750 7.241250 4.344750 -Ba 5.793000 0.000000 5.793000 -O 7.241250 1.448250 7.241250 -Ba 8.689500 2.896500 5.793000 -O 10.137750 4.344750 7.241250 -Ba 11.586000 5.793000 5.793000 -O 13.034250 7.241250 7.241250 -Ba 0.000000 2.896500 2.896500 -O 1.448250 4.344750 4.344750 -Ba 2.896500 5.793000 2.896500 -O 4.344750 7.241250 4.344750 -Ba 5.793000 8.689500 2.896500 -O 7.241250 10.137750 4.344750 -Ba 2.896500 2.896500 5.793000 -O 4.344750 4.344750 7.241250 -Ba 5.793000 5.793000 5.793000 -O 7.241250 7.241250 7.241250 -Ba 8.689500 8.689500 5.793000 -O 10.137750 10.137750 7.241250 -Ba 5.793000 2.896500 8.689500 -O 7.241250 4.344750 10.137750 -Ba 8.689500 5.793000 8.689500 -O 10.137750 7.241250 10.137750 -Ba 11.586000 8.689500 8.689500 -O 13.034250 10.137750 10.137750 -Ba 0.000000 5.793000 5.793000 -O 1.448250 7.241250 7.241250 -Ba 2.896500 8.689500 5.793000 -O 4.344750 10.137750 7.241250 -Ba 5.793000 11.586000 5.793000 -O 7.241250 13.034250 7.241250 -Ba 2.896500 5.793000 8.689500 -O 4.344750 7.241250 10.137750 -Ba 5.793000 8.689500 8.689500 -O 7.241250 10.137750 10.137750 -Ba 8.689500 11.586000 8.689500 -O 10.137750 13.034250 10.137750 -Ba 5.793000 5.793000 11.586000 -O 7.241250 7.241250 13.034250 -Ba 8.689500 8.689500 11.586000 -O 10.137750 10.137750 13.034250 -Ba 11.586000 11.586000 11.586000 -O 13.034250 13.034250 13.034250 diff --git a/data/compressed_sensing/structures/ZB_structures/BaS.xyz b/data/compressed_sensing/structures/ZB_structures/BaS.xyz deleted file mode 100644 index ccbc06bd0d92134aa93b3e62ca065f691d78f981..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BaS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ba 0.000000 0.000000 0.000000 -S 1.716500 1.716500 1.716500 -Ba 3.433000 3.433000 0.000000 -S 5.149500 5.149500 1.716500 -Ba 6.866000 6.866000 0.000000 -S 8.582500 8.582500 1.716500 -Ba 3.433000 0.000000 3.433000 -S 5.149500 1.716500 5.149500 -Ba 6.866000 3.433000 3.433000 -S 8.582500 5.149500 5.149500 -Ba 10.299000 6.866000 3.433000 -S 12.015500 8.582500 5.149500 -Ba 6.866000 0.000000 6.866000 -S 8.582500 1.716500 8.582500 -Ba 10.299000 3.433000 6.866000 -S 12.015500 5.149500 8.582500 -Ba 13.732000 6.866000 6.866000 -S 15.448500 8.582500 8.582500 -Ba 0.000000 3.433000 3.433000 -S 1.716500 5.149500 5.149500 -Ba 3.433000 6.866000 3.433000 -S 5.149500 8.582500 5.149500 -Ba 6.866000 10.299000 3.433000 -S 8.582500 12.015500 5.149500 -Ba 3.433000 3.433000 6.866000 -S 5.149500 5.149500 8.582500 -Ba 6.866000 6.866000 6.866000 -S 8.582500 8.582500 8.582500 -Ba 10.299000 10.299000 6.866000 -S 12.015500 12.015500 8.582500 -Ba 6.866000 3.433000 10.299000 -S 8.582500 5.149500 12.015500 -Ba 10.299000 6.866000 10.299000 -S 12.015500 8.582500 12.015500 -Ba 13.732000 10.299000 10.299000 -S 15.448500 12.015500 12.015500 -Ba 0.000000 6.866000 6.866000 -S 1.716500 8.582500 8.582500 -Ba 3.433000 10.299000 6.866000 -S 5.149500 12.015500 8.582500 -Ba 6.866000 13.732000 6.866000 -S 8.582500 15.448500 8.582500 -Ba 3.433000 6.866000 10.299000 -S 5.149500 8.582500 12.015500 -Ba 6.866000 10.299000 10.299000 -S 8.582500 12.015500 12.015500 -Ba 10.299000 13.732000 10.299000 -S 12.015500 15.448500 12.015500 -Ba 6.866000 6.866000 13.732000 -S 8.582500 8.582500 15.448500 -Ba 10.299000 10.299000 13.732000 -S 12.015500 12.015500 15.448500 -Ba 13.732000 13.732000 13.732000 -S 15.448500 15.448500 15.448500 diff --git a/data/compressed_sensing/structures/ZB_structures/BaSe.xyz b/data/compressed_sensing/structures/ZB_structures/BaSe.xyz deleted file mode 100644 index 58ec593c3ba3af77311a207236408446cc62328f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BaSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ba 0.000000 0.000000 0.000000 -Se 1.782000 1.782000 1.782000 -Ba 3.564000 3.564000 0.000000 -Se 5.346000 5.346000 1.782000 -Ba 7.128000 7.128000 0.000000 -Se 8.910000 8.910000 1.782000 -Ba 3.564000 0.000000 3.564000 -Se 5.346000 1.782000 5.346000 -Ba 7.128000 3.564000 3.564000 -Se 8.910000 5.346000 5.346000 -Ba 10.692000 7.128000 3.564000 -Se 12.474000 8.910000 5.346000 -Ba 7.128000 0.000000 7.128000 -Se 8.910000 1.782000 8.910000 -Ba 10.692000 3.564000 7.128000 -Se 12.474000 5.346000 8.910000 -Ba 14.256000 7.128000 7.128000 -Se 16.038000 8.910000 8.910000 -Ba 0.000000 3.564000 3.564000 -Se 1.782000 5.346000 5.346000 -Ba 3.564000 7.128000 3.564000 -Se 5.346000 8.910000 5.346000 -Ba 7.128000 10.692000 3.564000 -Se 8.910000 12.474000 5.346000 -Ba 3.564000 3.564000 7.128000 -Se 5.346000 5.346000 8.910000 -Ba 7.128000 7.128000 7.128000 -Se 8.910000 8.910000 8.910000 -Ba 10.692000 10.692000 7.128000 -Se 12.474000 12.474000 8.910000 -Ba 7.128000 3.564000 10.692000 -Se 8.910000 5.346000 12.474000 -Ba 10.692000 7.128000 10.692000 -Se 12.474000 8.910000 12.474000 -Ba 14.256000 10.692000 10.692000 -Se 16.038000 12.474000 12.474000 -Ba 0.000000 7.128000 7.128000 -Se 1.782000 8.910000 8.910000 -Ba 3.564000 10.692000 7.128000 -Se 5.346000 12.474000 8.910000 -Ba 7.128000 14.256000 7.128000 -Se 8.910000 16.038000 8.910000 -Ba 3.564000 7.128000 10.692000 -Se 5.346000 8.910000 12.474000 -Ba 7.128000 10.692000 10.692000 -Se 8.910000 12.474000 12.474000 -Ba 10.692000 14.256000 10.692000 -Se 12.474000 16.038000 12.474000 -Ba 7.128000 7.128000 14.256000 -Se 8.910000 8.910000 16.038000 -Ba 10.692000 10.692000 14.256000 -Se 12.474000 12.474000 16.038000 -Ba 14.256000 14.256000 14.256000 -Se 16.038000 16.038000 16.038000 diff --git a/data/compressed_sensing/structures/ZB_structures/BaTe.xyz b/data/compressed_sensing/structures/ZB_structures/BaTe.xyz deleted file mode 100644 index c8714028e94dd3558dafad360863e6b9db722553..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BaTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ba 0.000000 0.000000 0.000000 -Te 1.903500 1.903500 1.903500 -Ba 3.807000 3.807000 0.000000 -Te 5.710500 5.710500 1.903500 -Ba 7.614000 7.614000 0.000000 -Te 9.517500 9.517500 1.903500 -Ba 3.807000 0.000000 3.807000 -Te 5.710500 1.903500 5.710500 -Ba 7.614000 3.807000 3.807000 -Te 9.517500 5.710500 5.710500 -Ba 11.421000 7.614000 3.807000 -Te 13.324500 9.517500 5.710500 -Ba 7.614000 0.000000 7.614000 -Te 9.517500 1.903500 9.517500 -Ba 11.421000 3.807000 7.614000 -Te 13.324500 5.710500 9.517500 -Ba 15.228000 7.614000 7.614000 -Te 17.131500 9.517500 9.517500 -Ba 0.000000 3.807000 3.807000 -Te 1.903500 5.710500 5.710500 -Ba 3.807000 7.614000 3.807000 -Te 5.710500 9.517500 5.710500 -Ba 7.614000 11.421000 3.807000 -Te 9.517500 13.324500 5.710500 -Ba 3.807000 3.807000 7.614000 -Te 5.710500 5.710500 9.517500 -Ba 7.614000 7.614000 7.614000 -Te 9.517500 9.517500 9.517500 -Ba 11.421000 11.421000 7.614000 -Te 13.324500 13.324500 9.517500 -Ba 7.614000 3.807000 11.421000 -Te 9.517500 5.710500 13.324500 -Ba 11.421000 7.614000 11.421000 -Te 13.324500 9.517500 13.324500 -Ba 15.228000 11.421000 11.421000 -Te 17.131500 13.324500 13.324500 -Ba 0.000000 7.614000 7.614000 -Te 1.903500 9.517500 9.517500 -Ba 3.807000 11.421000 7.614000 -Te 5.710500 13.324500 9.517500 -Ba 7.614000 15.228000 7.614000 -Te 9.517500 17.131500 9.517500 -Ba 3.807000 7.614000 11.421000 -Te 5.710500 9.517500 13.324500 -Ba 7.614000 11.421000 11.421000 -Te 9.517500 13.324500 13.324500 -Ba 11.421000 15.228000 11.421000 -Te 13.324500 17.131500 13.324500 -Ba 7.614000 7.614000 15.228000 -Te 9.517500 9.517500 17.131500 -Ba 11.421000 11.421000 15.228000 -Te 13.324500 13.324500 17.131500 -Ba 15.228000 15.228000 15.228000 -Te 17.131500 17.131500 17.131500 diff --git a/data/compressed_sensing/structures/ZB_structures/BeO.xyz b/data/compressed_sensing/structures/ZB_structures/BeO.xyz deleted file mode 100644 index 149f62d2b8bd77951c0e61b5cea3887b5c0491fc..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BeO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Be 0.000000 0.000000 0.000000 -O 0.921690 0.921690 0.921690 -Be 1.843380 1.843380 0.000000 -O 2.765070 2.765070 0.921690 -Be 3.686760 3.686760 0.000000 -O 4.608450 4.608450 0.921690 -Be 1.843380 0.000000 1.843380 -O 2.765070 0.921690 2.765070 -Be 3.686760 1.843380 1.843380 -O 4.608450 2.765070 2.765070 -Be 5.530140 3.686760 1.843380 -O 6.451830 4.608450 2.765070 -Be 3.686760 0.000000 3.686760 -O 4.608450 0.921690 4.608450 -Be 5.530140 1.843380 3.686760 -O 6.451830 2.765070 4.608450 -Be 7.373520 3.686760 3.686760 -O 8.295210 4.608450 4.608450 -Be 0.000000 1.843380 1.843380 -O 0.921690 2.765070 2.765070 -Be 1.843380 3.686760 1.843380 -O 2.765070 4.608450 2.765070 -Be 3.686760 5.530140 1.843380 -O 4.608450 6.451830 2.765070 -Be 1.843380 1.843380 3.686760 -O 2.765070 2.765070 4.608450 -Be 3.686760 3.686760 3.686760 -O 4.608450 4.608450 4.608450 -Be 5.530140 5.530140 3.686760 -O 6.451830 6.451830 4.608450 -Be 3.686760 1.843380 5.530140 -O 4.608450 2.765070 6.451830 -Be 5.530140 3.686760 5.530140 -O 6.451830 4.608450 6.451830 -Be 7.373520 5.530140 5.530140 -O 8.295210 6.451830 6.451830 -Be 0.000000 3.686760 3.686760 -O 0.921690 4.608450 4.608450 -Be 1.843380 5.530140 3.686760 -O 2.765070 6.451830 4.608450 -Be 3.686760 7.373520 3.686760 -O 4.608450 8.295210 4.608450 -Be 1.843380 3.686760 5.530140 -O 2.765070 4.608450 6.451830 -Be 3.686760 5.530140 5.530140 -O 4.608450 6.451830 6.451830 -Be 5.530140 7.373520 5.530140 -O 6.451830 8.295210 6.451830 -Be 3.686760 3.686760 7.373520 -O 4.608450 4.608450 8.295210 -Be 5.530140 5.530140 7.373520 -O 6.451830 6.451830 8.295210 -Be 7.373520 7.373520 7.373520 -O 8.295210 8.295210 8.295210 diff --git a/data/compressed_sensing/structures/ZB_structures/BeS.xyz b/data/compressed_sensing/structures/ZB_structures/BeS.xyz deleted file mode 100644 index 306cc2ffbf91d68ca361b7bf9878df9a82fb7619..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BeS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Be 0.000000 0.000000 0.000000 -S 1.199500 1.199500 1.199500 -Be 2.399000 2.399000 0.000000 -S 3.598500 3.598500 1.199500 -Be 4.798000 4.798000 0.000000 -S 5.997500 5.997500 1.199500 -Be 2.399000 0.000000 2.399000 -S 3.598500 1.199500 3.598500 -Be 4.798000 2.399000 2.399000 -S 5.997500 3.598500 3.598500 -Be 7.197000 4.798000 2.399000 -S 8.396500 5.997500 3.598500 -Be 4.798000 0.000000 4.798000 -S 5.997500 1.199500 5.997500 -Be 7.197000 2.399000 4.798000 -S 8.396500 3.598500 5.997500 -Be 9.596000 4.798000 4.798000 -S 10.795500 5.997500 5.997500 -Be 0.000000 2.399000 2.399000 -S 1.199500 3.598500 3.598500 -Be 2.399000 4.798000 2.399000 -S 3.598500 5.997500 3.598500 -Be 4.798000 7.197000 2.399000 -S 5.997500 8.396500 3.598500 -Be 2.399000 2.399000 4.798000 -S 3.598500 3.598500 5.997500 -Be 4.798000 4.798000 4.798000 -S 5.997500 5.997500 5.997500 -Be 7.197000 7.197000 4.798000 -S 8.396500 8.396500 5.997500 -Be 4.798000 2.399000 7.197000 -S 5.997500 3.598500 8.396500 -Be 7.197000 4.798000 7.197000 -S 8.396500 5.997500 8.396500 -Be 9.596000 7.197000 7.197000 -S 10.795500 8.396500 8.396500 -Be 0.000000 4.798000 4.798000 -S 1.199500 5.997500 5.997500 -Be 2.399000 7.197000 4.798000 -S 3.598500 8.396500 5.997500 -Be 4.798000 9.596000 4.798000 -S 5.997500 10.795500 5.997500 -Be 2.399000 4.798000 7.197000 -S 3.598500 5.997500 8.396500 -Be 4.798000 7.197000 7.197000 -S 5.997500 8.396500 8.396500 -Be 7.197000 9.596000 7.197000 -S 8.396500 10.795500 8.396500 -Be 4.798000 4.798000 9.596000 -S 5.997500 5.997500 10.795500 -Be 7.197000 7.197000 9.596000 -S 8.396500 8.396500 10.795500 -Be 9.596000 9.596000 9.596000 -S 10.795500 10.795500 10.795500 diff --git a/data/compressed_sensing/structures/ZB_structures/BeSe.xyz b/data/compressed_sensing/structures/ZB_structures/BeSe.xyz deleted file mode 100644 index 8e4c1d35806ac1156d5e9741282e8e1cd1872939..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BeSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Be 0.000000 0.000000 0.000000 -Se 1.271000 1.271000 1.271000 -Be 2.542000 2.542000 0.000000 -Se 3.813000 3.813000 1.271000 -Be 5.084000 5.084000 0.000000 -Se 6.355000 6.355000 1.271000 -Be 2.542000 0.000000 2.542000 -Se 3.813000 1.271000 3.813000 -Be 5.084000 2.542000 2.542000 -Se 6.355000 3.813000 3.813000 -Be 7.626000 5.084000 2.542000 -Se 8.897000 6.355000 3.813000 -Be 5.084000 0.000000 5.084000 -Se 6.355000 1.271000 6.355000 -Be 7.626000 2.542000 5.084000 -Se 8.897000 3.813000 6.355000 -Be 10.168000 5.084000 5.084000 -Se 11.439000 6.355000 6.355000 -Be 0.000000 2.542000 2.542000 -Se 1.271000 3.813000 3.813000 -Be 2.542000 5.084000 2.542000 -Se 3.813000 6.355000 3.813000 -Be 5.084000 7.626000 2.542000 -Se 6.355000 8.897000 3.813000 -Be 2.542000 2.542000 5.084000 -Se 3.813000 3.813000 6.355000 -Be 5.084000 5.084000 5.084000 -Se 6.355000 6.355000 6.355000 -Be 7.626000 7.626000 5.084000 -Se 8.897000 8.897000 6.355000 -Be 5.084000 2.542000 7.626000 -Se 6.355000 3.813000 8.897000 -Be 7.626000 5.084000 7.626000 -Se 8.897000 6.355000 8.897000 -Be 10.168000 7.626000 7.626000 -Se 11.439000 8.897000 8.897000 -Be 0.000000 5.084000 5.084000 -Se 1.271000 6.355000 6.355000 -Be 2.542000 7.626000 5.084000 -Se 3.813000 8.897000 6.355000 -Be 5.084000 10.168000 5.084000 -Se 6.355000 11.439000 6.355000 -Be 2.542000 5.084000 7.626000 -Se 3.813000 6.355000 8.897000 -Be 5.084000 7.626000 7.626000 -Se 6.355000 8.897000 8.897000 -Be 7.626000 10.168000 7.626000 -Se 8.897000 11.439000 8.897000 -Be 5.084000 5.084000 10.168000 -Se 6.355000 6.355000 11.439000 -Be 7.626000 7.626000 10.168000 -Se 8.897000 8.897000 11.439000 -Be 10.168000 10.168000 10.168000 -Se 11.439000 11.439000 11.439000 diff --git a/data/compressed_sensing/structures/ZB_structures/BeTe.xyz b/data/compressed_sensing/structures/ZB_structures/BeTe.xyz deleted file mode 100644 index a4e66c93bb8cba0a7e7932285265a9d067c7d87f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BeTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Be 0.000000 0.000000 0.000000 -Te 1.389500 1.389500 1.389500 -Be 2.779000 2.779000 0.000000 -Te 4.168500 4.168500 1.389500 -Be 5.558000 5.558000 0.000000 -Te 6.947500 6.947500 1.389500 -Be 2.779000 0.000000 2.779000 -Te 4.168500 1.389500 4.168500 -Be 5.558000 2.779000 2.779000 -Te 6.947500 4.168500 4.168500 -Be 8.337000 5.558000 2.779000 -Te 9.726500 6.947500 4.168500 -Be 5.558000 0.000000 5.558000 -Te 6.947500 1.389500 6.947500 -Be 8.337000 2.779000 5.558000 -Te 9.726500 4.168500 6.947500 -Be 11.116000 5.558000 5.558000 -Te 12.505500 6.947500 6.947500 -Be 0.000000 2.779000 2.779000 -Te 1.389500 4.168500 4.168500 -Be 2.779000 5.558000 2.779000 -Te 4.168500 6.947500 4.168500 -Be 5.558000 8.337000 2.779000 -Te 6.947500 9.726500 4.168500 -Be 2.779000 2.779000 5.558000 -Te 4.168500 4.168500 6.947500 -Be 5.558000 5.558000 5.558000 -Te 6.947500 6.947500 6.947500 -Be 8.337000 8.337000 5.558000 -Te 9.726500 9.726500 6.947500 -Be 5.558000 2.779000 8.337000 -Te 6.947500 4.168500 9.726500 -Be 8.337000 5.558000 8.337000 -Te 9.726500 6.947500 9.726500 -Be 11.116000 8.337000 8.337000 -Te 12.505500 9.726500 9.726500 -Be 0.000000 5.558000 5.558000 -Te 1.389500 6.947500 6.947500 -Be 2.779000 8.337000 5.558000 -Te 4.168500 9.726500 6.947500 -Be 5.558000 11.116000 5.558000 -Te 6.947500 12.505500 6.947500 -Be 2.779000 5.558000 8.337000 -Te 4.168500 6.947500 9.726500 -Be 5.558000 8.337000 8.337000 -Te 6.947500 9.726500 9.726500 -Be 8.337000 11.116000 8.337000 -Te 9.726500 12.505500 9.726500 -Be 5.558000 5.558000 11.116000 -Te 6.947500 6.947500 12.505500 -Be 8.337000 8.337000 11.116000 -Te 9.726500 9.726500 12.505500 -Be 11.116000 11.116000 11.116000 -Te 12.505500 12.505500 12.505500 diff --git a/data/compressed_sensing/structures/ZB_structures/BrCs.xyz b/data/compressed_sensing/structures/ZB_structures/BrCs.xyz deleted file mode 100644 index 6e2af714a8466702ac0146e7fab2c5d3f6292ff8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BrCs.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cs 0.000000 0.000000 0.000000 -Br 1.957250 1.957250 1.957250 -Cs 3.914500 3.914500 0.000000 -Br 5.871750 5.871750 1.957250 -Cs 7.829000 7.829000 0.000000 -Br 9.786250 9.786250 1.957250 -Cs 3.914500 0.000000 3.914500 -Br 5.871750 1.957250 5.871750 -Cs 7.829000 3.914500 3.914500 -Br 9.786250 5.871750 5.871750 -Cs 11.743500 7.829000 3.914500 -Br 13.700750 9.786250 5.871750 -Cs 7.829000 0.000000 7.829000 -Br 9.786250 1.957250 9.786250 -Cs 11.743500 3.914500 7.829000 -Br 13.700750 5.871750 9.786250 -Cs 15.658000 7.829000 7.829000 -Br 17.615250 9.786250 9.786250 -Cs 0.000000 3.914500 3.914500 -Br 1.957250 5.871750 5.871750 -Cs 3.914500 7.829000 3.914500 -Br 5.871750 9.786250 5.871750 -Cs 7.829000 11.743500 3.914500 -Br 9.786250 13.700750 5.871750 -Cs 3.914500 3.914500 7.829000 -Br 5.871750 5.871750 9.786250 -Cs 7.829000 7.829000 7.829000 -Br 9.786250 9.786250 9.786250 -Cs 11.743500 11.743500 7.829000 -Br 13.700750 13.700750 9.786250 -Cs 7.829000 3.914500 11.743500 -Br 9.786250 5.871750 13.700750 -Cs 11.743500 7.829000 11.743500 -Br 13.700750 9.786250 13.700750 -Cs 15.658000 11.743500 11.743500 -Br 17.615250 13.700750 13.700750 -Cs 0.000000 7.829000 7.829000 -Br 1.957250 9.786250 9.786250 -Cs 3.914500 11.743500 7.829000 -Br 5.871750 13.700750 9.786250 -Cs 7.829000 15.658000 7.829000 -Br 9.786250 17.615250 9.786250 -Cs 3.914500 7.829000 11.743500 -Br 5.871750 9.786250 13.700750 -Cs 7.829000 11.743500 11.743500 -Br 9.786250 13.700750 13.700750 -Cs 11.743500 15.658000 11.743500 -Br 13.700750 17.615250 13.700750 -Cs 7.829000 7.829000 15.658000 -Br 9.786250 9.786250 17.615250 -Cs 11.743500 11.743500 15.658000 -Br 13.700750 13.700750 17.615250 -Cs 15.658000 15.658000 15.658000 -Br 17.615250 17.615250 17.615250 diff --git a/data/compressed_sensing/structures/ZB_structures/BrCu.xyz b/data/compressed_sensing/structures/ZB_structures/BrCu.xyz deleted file mode 100644 index 662bb9409691aa248d7c7a549bf4371b62e27dff..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BrCu.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cu 0.000000 0.000000 0.000000 -Br 1.374500 1.374500 1.374500 -Cu 2.749000 2.749000 0.000000 -Br 4.123500 4.123500 1.374500 -Cu 5.498000 5.498000 0.000000 -Br 6.872500 6.872500 1.374500 -Cu 2.749000 0.000000 2.749000 -Br 4.123500 1.374500 4.123500 -Cu 5.498000 2.749000 2.749000 -Br 6.872500 4.123500 4.123500 -Cu 8.247000 5.498000 2.749000 -Br 9.621500 6.872500 4.123500 -Cu 5.498000 0.000000 5.498000 -Br 6.872500 1.374500 6.872500 -Cu 8.247000 2.749000 5.498000 -Br 9.621500 4.123500 6.872500 -Cu 10.996000 5.498000 5.498000 -Br 12.370500 6.872500 6.872500 -Cu 0.000000 2.749000 2.749000 -Br 1.374500 4.123500 4.123500 -Cu 2.749000 5.498000 2.749000 -Br 4.123500 6.872500 4.123500 -Cu 5.498000 8.247000 2.749000 -Br 6.872500 9.621500 4.123500 -Cu 2.749000 2.749000 5.498000 -Br 4.123500 4.123500 6.872500 -Cu 5.498000 5.498000 5.498000 -Br 6.872500 6.872500 6.872500 -Cu 8.247000 8.247000 5.498000 -Br 9.621500 9.621500 6.872500 -Cu 5.498000 2.749000 8.247000 -Br 6.872500 4.123500 9.621500 -Cu 8.247000 5.498000 8.247000 -Br 9.621500 6.872500 9.621500 -Cu 10.996000 8.247000 8.247000 -Br 12.370500 9.621500 9.621500 -Cu 0.000000 5.498000 5.498000 -Br 1.374500 6.872500 6.872500 -Cu 2.749000 8.247000 5.498000 -Br 4.123500 9.621500 6.872500 -Cu 5.498000 10.996000 5.498000 -Br 6.872500 12.370500 6.872500 -Cu 2.749000 5.498000 8.247000 -Br 4.123500 6.872500 9.621500 -Cu 5.498000 8.247000 8.247000 -Br 6.872500 9.621500 9.621500 -Cu 8.247000 10.996000 8.247000 -Br 9.621500 12.370500 9.621500 -Cu 5.498000 5.498000 10.996000 -Br 6.872500 6.872500 12.370500 -Cu 8.247000 8.247000 10.996000 -Br 9.621500 9.621500 12.370500 -Cu 10.996000 10.996000 10.996000 -Br 12.370500 12.370500 12.370500 diff --git a/data/compressed_sensing/structures/ZB_structures/BrK.xyz b/data/compressed_sensing/structures/ZB_structures/BrK.xyz deleted file mode 100644 index 1198109b598e50eb2cee63217ffe0ff56be0cc96..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BrK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -Br 1.785250 1.785250 1.785250 -K 3.570500 3.570500 0.000000 -Br 5.355750 5.355750 1.785250 -K 7.141000 7.141000 0.000000 -Br 8.926250 8.926250 1.785250 -K 3.570500 0.000000 3.570500 -Br 5.355750 1.785250 5.355750 -K 7.141000 3.570500 3.570500 -Br 8.926250 5.355750 5.355750 -K 10.711500 7.141000 3.570500 -Br 12.496750 8.926250 5.355750 -K 7.141000 0.000000 7.141000 -Br 8.926250 1.785250 8.926250 -K 10.711500 3.570500 7.141000 -Br 12.496750 5.355750 8.926250 -K 14.282000 7.141000 7.141000 -Br 16.067250 8.926250 8.926250 -K 0.000000 3.570500 3.570500 -Br 1.785250 5.355750 5.355750 -K 3.570500 7.141000 3.570500 -Br 5.355750 8.926250 5.355750 -K 7.141000 10.711500 3.570500 -Br 8.926250 12.496750 5.355750 -K 3.570500 3.570500 7.141000 -Br 5.355750 5.355750 8.926250 -K 7.141000 7.141000 7.141000 -Br 8.926250 8.926250 8.926250 -K 10.711500 10.711500 7.141000 -Br 12.496750 12.496750 8.926250 -K 7.141000 3.570500 10.711500 -Br 8.926250 5.355750 12.496750 -K 10.711500 7.141000 10.711500 -Br 12.496750 8.926250 12.496750 -K 14.282000 10.711500 10.711500 -Br 16.067250 12.496750 12.496750 -K 0.000000 7.141000 7.141000 -Br 1.785250 8.926250 8.926250 -K 3.570500 10.711500 7.141000 -Br 5.355750 12.496750 8.926250 -K 7.141000 14.282000 7.141000 -Br 8.926250 16.067250 8.926250 -K 3.570500 7.141000 10.711500 -Br 5.355750 8.926250 12.496750 -K 7.141000 10.711500 10.711500 -Br 8.926250 12.496750 12.496750 -K 10.711500 14.282000 10.711500 -Br 12.496750 16.067250 12.496750 -K 7.141000 7.141000 14.282000 -Br 8.926250 8.926250 16.067250 -K 10.711500 10.711500 14.282000 -Br 12.496750 12.496750 16.067250 -K 14.282000 14.282000 14.282000 -Br 16.067250 16.067250 16.067250 diff --git a/data/compressed_sensing/structures/ZB_structures/BrLi.xyz b/data/compressed_sensing/structures/ZB_structures/BrLi.xyz deleted file mode 100644 index 12dc8acecfb875a5acc69fb3f1cb26b2a151f452..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BrLi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -Br 1.422000 1.422000 1.422000 -Li 2.844000 2.844000 0.000000 -Br 4.266000 4.266000 1.422000 -Li 5.688000 5.688000 0.000000 -Br 7.110000 7.110000 1.422000 -Li 2.844000 0.000000 2.844000 -Br 4.266000 1.422000 4.266000 -Li 5.688000 2.844000 2.844000 -Br 7.110000 4.266000 4.266000 -Li 8.532000 5.688000 2.844000 -Br 9.954000 7.110000 4.266000 -Li 5.688000 0.000000 5.688000 -Br 7.110000 1.422000 7.110000 -Li 8.532000 2.844000 5.688000 -Br 9.954000 4.266000 7.110000 -Li 11.376000 5.688000 5.688000 -Br 12.798000 7.110000 7.110000 -Li 0.000000 2.844000 2.844000 -Br 1.422000 4.266000 4.266000 -Li 2.844000 5.688000 2.844000 -Br 4.266000 7.110000 4.266000 -Li 5.688000 8.532000 2.844000 -Br 7.110000 9.954000 4.266000 -Li 2.844000 2.844000 5.688000 -Br 4.266000 4.266000 7.110000 -Li 5.688000 5.688000 5.688000 -Br 7.110000 7.110000 7.110000 -Li 8.532000 8.532000 5.688000 -Br 9.954000 9.954000 7.110000 -Li 5.688000 2.844000 8.532000 -Br 7.110000 4.266000 9.954000 -Li 8.532000 5.688000 8.532000 -Br 9.954000 7.110000 9.954000 -Li 11.376000 8.532000 8.532000 -Br 12.798000 9.954000 9.954000 -Li 0.000000 5.688000 5.688000 -Br 1.422000 7.110000 7.110000 -Li 2.844000 8.532000 5.688000 -Br 4.266000 9.954000 7.110000 -Li 5.688000 11.376000 5.688000 -Br 7.110000 12.798000 7.110000 -Li 2.844000 5.688000 8.532000 -Br 4.266000 7.110000 9.954000 -Li 5.688000 8.532000 8.532000 -Br 7.110000 9.954000 9.954000 -Li 8.532000 11.376000 8.532000 -Br 9.954000 12.798000 9.954000 -Li 5.688000 5.688000 11.376000 -Br 7.110000 7.110000 12.798000 -Li 8.532000 8.532000 11.376000 -Br 9.954000 9.954000 12.798000 -Li 11.376000 11.376000 11.376000 -Br 12.798000 12.798000 12.798000 diff --git a/data/compressed_sensing/structures/ZB_structures/BrNa.xyz b/data/compressed_sensing/structures/ZB_structures/BrNa.xyz deleted file mode 100644 index 4c9efc2bbb3e08bd0a35f3b032ac131d61f66fea..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BrNa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -Br 1.594500 1.594500 1.594500 -Na 3.189000 3.189000 0.000000 -Br 4.783500 4.783500 1.594500 -Na 6.378000 6.378000 0.000000 -Br 7.972500 7.972500 1.594500 -Na 3.189000 0.000000 3.189000 -Br 4.783500 1.594500 4.783500 -Na 6.378000 3.189000 3.189000 -Br 7.972500 4.783500 4.783500 -Na 9.567000 6.378000 3.189000 -Br 11.161500 7.972500 4.783500 -Na 6.378000 0.000000 6.378000 -Br 7.972500 1.594500 7.972500 -Na 9.567000 3.189000 6.378000 -Br 11.161500 4.783500 7.972500 -Na 12.756000 6.378000 6.378000 -Br 14.350500 7.972500 7.972500 -Na 0.000000 3.189000 3.189000 -Br 1.594500 4.783500 4.783500 -Na 3.189000 6.378000 3.189000 -Br 4.783500 7.972500 4.783500 -Na 6.378000 9.567000 3.189000 -Br 7.972500 11.161500 4.783500 -Na 3.189000 3.189000 6.378000 -Br 4.783500 4.783500 7.972500 -Na 6.378000 6.378000 6.378000 -Br 7.972500 7.972500 7.972500 -Na 9.567000 9.567000 6.378000 -Br 11.161500 11.161500 7.972500 -Na 6.378000 3.189000 9.567000 -Br 7.972500 4.783500 11.161500 -Na 9.567000 6.378000 9.567000 -Br 11.161500 7.972500 11.161500 -Na 12.756000 9.567000 9.567000 -Br 14.350500 11.161500 11.161500 -Na 0.000000 6.378000 6.378000 -Br 1.594500 7.972500 7.972500 -Na 3.189000 9.567000 6.378000 -Br 4.783500 11.161500 7.972500 -Na 6.378000 12.756000 6.378000 -Br 7.972500 14.350500 7.972500 -Na 3.189000 6.378000 9.567000 -Br 4.783500 7.972500 11.161500 -Na 6.378000 9.567000 9.567000 -Br 7.972500 11.161500 11.161500 -Na 9.567000 12.756000 9.567000 -Br 11.161500 14.350500 11.161500 -Na 6.378000 6.378000 12.756000 -Br 7.972500 7.972500 14.350500 -Na 9.567000 9.567000 12.756000 -Br 11.161500 11.161500 14.350500 -Na 12.756000 12.756000 12.756000 -Br 14.350500 14.350500 14.350500 diff --git a/data/compressed_sensing/structures/ZB_structures/BrRb.xyz b/data/compressed_sensing/structures/ZB_structures/BrRb.xyz deleted file mode 100644 index a0395aa14d47c3db9f8c0e95ce1fb85e6d42892c..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/BrRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -Br 1.862750 1.862750 1.862750 -Rb 3.725500 3.725500 0.000000 -Br 5.588250 5.588250 1.862750 -Rb 7.451000 7.451000 0.000000 -Br 9.313750 9.313750 1.862750 -Rb 3.725500 0.000000 3.725500 -Br 5.588250 1.862750 5.588250 -Rb 7.451000 3.725500 3.725500 -Br 9.313750 5.588250 5.588250 -Rb 11.176500 7.451000 3.725500 -Br 13.039250 9.313750 5.588250 -Rb 7.451000 0.000000 7.451000 -Br 9.313750 1.862750 9.313750 -Rb 11.176500 3.725500 7.451000 -Br 13.039250 5.588250 9.313750 -Rb 14.902000 7.451000 7.451000 -Br 16.764750 9.313750 9.313750 -Rb 0.000000 3.725500 3.725500 -Br 1.862750 5.588250 5.588250 -Rb 3.725500 7.451000 3.725500 -Br 5.588250 9.313750 5.588250 -Rb 7.451000 11.176500 3.725500 -Br 9.313750 13.039250 5.588250 -Rb 3.725500 3.725500 7.451000 -Br 5.588250 5.588250 9.313750 -Rb 7.451000 7.451000 7.451000 -Br 9.313750 9.313750 9.313750 -Rb 11.176500 11.176500 7.451000 -Br 13.039250 13.039250 9.313750 -Rb 7.451000 3.725500 11.176500 -Br 9.313750 5.588250 13.039250 -Rb 11.176500 7.451000 11.176500 -Br 13.039250 9.313750 13.039250 -Rb 14.902000 11.176500 11.176500 -Br 16.764750 13.039250 13.039250 -Rb 0.000000 7.451000 7.451000 -Br 1.862750 9.313750 9.313750 -Rb 3.725500 11.176500 7.451000 -Br 5.588250 13.039250 9.313750 -Rb 7.451000 14.902000 7.451000 -Br 9.313750 16.764750 9.313750 -Rb 3.725500 7.451000 11.176500 -Br 5.588250 9.313750 13.039250 -Rb 7.451000 11.176500 11.176500 -Br 9.313750 13.039250 13.039250 -Rb 11.176500 14.902000 11.176500 -Br 13.039250 16.764750 13.039250 -Rb 7.451000 7.451000 14.902000 -Br 9.313750 9.313750 16.764750 -Rb 11.176500 11.176500 14.902000 -Br 13.039250 13.039250 16.764750 -Rb 14.902000 14.902000 14.902000 -Br 16.764750 16.764750 16.764750 diff --git a/data/compressed_sensing/structures/ZB_structures/C2.xyz b/data/compressed_sensing/structures/ZB_structures/C2.xyz deleted file mode 100644 index 77ff8f35c69e280cbec764b868c62fc718005b74..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/C2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -C 0.000000 0.000000 0.000000 -C 0.883500 0.883500 0.883500 -C 1.767000 1.767000 0.000000 -C 2.650500 2.650500 0.883500 -C 3.534000 3.534000 0.000000 -C 4.417500 4.417500 0.883500 -C 1.767000 0.000000 1.767000 -C 2.650500 0.883500 2.650500 -C 3.534000 1.767000 1.767000 -C 4.417500 2.650500 2.650500 -C 5.301000 3.534000 1.767000 -C 6.184500 4.417500 2.650500 -C 3.534000 0.000000 3.534000 -C 4.417500 0.883500 4.417500 -C 5.301000 1.767000 3.534000 -C 6.184500 2.650500 4.417500 -C 7.068000 3.534000 3.534000 -C 7.951500 4.417500 4.417500 -C 0.000000 1.767000 1.767000 -C 0.883500 2.650500 2.650500 -C 1.767000 3.534000 1.767000 -C 2.650500 4.417500 2.650500 -C 3.534000 5.301000 1.767000 -C 4.417500 6.184500 2.650500 -C 1.767000 1.767000 3.534000 -C 2.650500 2.650500 4.417500 -C 3.534000 3.534000 3.534000 -C 4.417500 4.417500 4.417500 -C 5.301000 5.301000 3.534000 -C 6.184500 6.184500 4.417500 -C 3.534000 1.767000 5.301000 -C 4.417500 2.650500 6.184500 -C 5.301000 3.534000 5.301000 -C 6.184500 4.417500 6.184500 -C 7.068000 5.301000 5.301000 -C 7.951500 6.184500 6.184500 -C 0.000000 3.534000 3.534000 -C 0.883500 4.417500 4.417500 -C 1.767000 5.301000 3.534000 -C 2.650500 6.184500 4.417500 -C 3.534000 7.068000 3.534000 -C 4.417500 7.951500 4.417500 -C 1.767000 3.534000 5.301000 -C 2.650500 4.417500 6.184500 -C 3.534000 5.301000 5.301000 -C 4.417500 6.184500 6.184500 -C 5.301000 7.068000 5.301000 -C 6.184500 7.951500 6.184500 -C 3.534000 3.534000 7.068000 -C 4.417500 4.417500 7.951500 -C 5.301000 5.301000 7.068000 -C 6.184500 6.184500 7.951500 -C 7.068000 7.068000 7.068000 -C 7.951500 7.951500 7.951500 diff --git a/data/compressed_sensing/structures/ZB_structures/CGe.xyz b/data/compressed_sensing/structures/ZB_structures/CGe.xyz deleted file mode 100644 index f98a2950f8b9a458a9db6634c2a447d9a1a3e44c..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CGe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ge 0.000000 0.000000 0.000000 -C 1.132750 1.132750 1.132750 -Ge 2.265500 2.265500 0.000000 -C 3.398250 3.398250 1.132750 -Ge 4.531000 4.531000 0.000000 -C 5.663750 5.663750 1.132750 -Ge 2.265500 0.000000 2.265500 -C 3.398250 1.132750 3.398250 -Ge 4.531000 2.265500 2.265500 -C 5.663750 3.398250 3.398250 -Ge 6.796500 4.531000 2.265500 -C 7.929250 5.663750 3.398250 -Ge 4.531000 0.000000 4.531000 -C 5.663750 1.132750 5.663750 -Ge 6.796500 2.265500 4.531000 -C 7.929250 3.398250 5.663750 -Ge 9.062000 4.531000 4.531000 -C 10.194750 5.663750 5.663750 -Ge 0.000000 2.265500 2.265500 -C 1.132750 3.398250 3.398250 -Ge 2.265500 4.531000 2.265500 -C 3.398250 5.663750 3.398250 -Ge 4.531000 6.796500 2.265500 -C 5.663750 7.929250 3.398250 -Ge 2.265500 2.265500 4.531000 -C 3.398250 3.398250 5.663750 -Ge 4.531000 4.531000 4.531000 -C 5.663750 5.663750 5.663750 -Ge 6.796500 6.796500 4.531000 -C 7.929250 7.929250 5.663750 -Ge 4.531000 2.265500 6.796500 -C 5.663750 3.398250 7.929250 -Ge 6.796500 4.531000 6.796500 -C 7.929250 5.663750 7.929250 -Ge 9.062000 6.796500 6.796500 -C 10.194750 7.929250 7.929250 -Ge 0.000000 4.531000 4.531000 -C 1.132750 5.663750 5.663750 -Ge 2.265500 6.796500 4.531000 -C 3.398250 7.929250 5.663750 -Ge 4.531000 9.062000 4.531000 -C 5.663750 10.194750 5.663750 -Ge 2.265500 4.531000 6.796500 -C 3.398250 5.663750 7.929250 -Ge 4.531000 6.796500 6.796500 -C 5.663750 7.929250 7.929250 -Ge 6.796500 9.062000 6.796500 -C 7.929250 10.194750 7.929250 -Ge 4.531000 4.531000 9.062000 -C 5.663750 5.663750 10.194750 -Ge 6.796500 6.796500 9.062000 -C 7.929250 7.929250 10.194750 -Ge 9.062000 9.062000 9.062000 -C 10.194750 10.194750 10.194750 diff --git a/data/compressed_sensing/structures/ZB_structures/CSi.xyz b/data/compressed_sensing/structures/ZB_structures/CSi.xyz deleted file mode 100644 index 3d009c14828fd998de9871932b3c076217cfdbb7..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CSi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Si 0.000000 0.000000 0.000000 -C 1.082750 1.082750 1.082750 -Si 2.165500 2.165500 0.000000 -C 3.248250 3.248250 1.082750 -Si 4.331000 4.331000 0.000000 -C 5.413750 5.413750 1.082750 -Si 2.165500 0.000000 2.165500 -C 3.248250 1.082750 3.248250 -Si 4.331000 2.165500 2.165500 -C 5.413750 3.248250 3.248250 -Si 6.496500 4.331000 2.165500 -C 7.579250 5.413750 3.248250 -Si 4.331000 0.000000 4.331000 -C 5.413750 1.082750 5.413750 -Si 6.496500 2.165500 4.331000 -C 7.579250 3.248250 5.413750 -Si 8.662000 4.331000 4.331000 -C 9.744750 5.413750 5.413750 -Si 0.000000 2.165500 2.165500 -C 1.082750 3.248250 3.248250 -Si 2.165500 4.331000 2.165500 -C 3.248250 5.413750 3.248250 -Si 4.331000 6.496500 2.165500 -C 5.413750 7.579250 3.248250 -Si 2.165500 2.165500 4.331000 -C 3.248250 3.248250 5.413750 -Si 4.331000 4.331000 4.331000 -C 5.413750 5.413750 5.413750 -Si 6.496500 6.496500 4.331000 -C 7.579250 7.579250 5.413750 -Si 4.331000 2.165500 6.496500 -C 5.413750 3.248250 7.579250 -Si 6.496500 4.331000 6.496500 -C 7.579250 5.413750 7.579250 -Si 8.662000 6.496500 6.496500 -C 9.744750 7.579250 7.579250 -Si 0.000000 4.331000 4.331000 -C 1.082750 5.413750 5.413750 -Si 2.165500 6.496500 4.331000 -C 3.248250 7.579250 5.413750 -Si 4.331000 8.662000 4.331000 -C 5.413750 9.744750 5.413750 -Si 2.165500 4.331000 6.496500 -C 3.248250 5.413750 7.579250 -Si 4.331000 6.496500 6.496500 -C 5.413750 7.579250 7.579250 -Si 6.496500 8.662000 6.496500 -C 7.579250 9.744750 7.579250 -Si 4.331000 4.331000 8.662000 -C 5.413750 5.413750 9.744750 -Si 6.496500 6.496500 8.662000 -C 7.579250 7.579250 9.744750 -Si 8.662000 8.662000 8.662000 -C 9.744750 9.744750 9.744750 diff --git a/data/compressed_sensing/structures/ZB_structures/CSn.xyz b/data/compressed_sensing/structures/ZB_structures/CSn.xyz deleted file mode 100644 index 1fbf1383b2cff7683179f97ea6054718ce3888e9..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CSn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -C 1.249750 1.249750 1.249750 -Sn 2.499500 2.499500 0.000000 -C 3.749250 3.749250 1.249750 -Sn 4.999000 4.999000 0.000000 -C 6.248750 6.248750 1.249750 -Sn 2.499500 0.000000 2.499500 -C 3.749250 1.249750 3.749250 -Sn 4.999000 2.499500 2.499500 -C 6.248750 3.749250 3.749250 -Sn 7.498500 4.999000 2.499500 -C 8.748250 6.248750 3.749250 -Sn 4.999000 0.000000 4.999000 -C 6.248750 1.249750 6.248750 -Sn 7.498500 2.499500 4.999000 -C 8.748250 3.749250 6.248750 -Sn 9.998000 4.999000 4.999000 -C 11.247750 6.248750 6.248750 -Sn 0.000000 2.499500 2.499500 -C 1.249750 3.749250 3.749250 -Sn 2.499500 4.999000 2.499500 -C 3.749250 6.248750 3.749250 -Sn 4.999000 7.498500 2.499500 -C 6.248750 8.748250 3.749250 -Sn 2.499500 2.499500 4.999000 -C 3.749250 3.749250 6.248750 -Sn 4.999000 4.999000 4.999000 -C 6.248750 6.248750 6.248750 -Sn 7.498500 7.498500 4.999000 -C 8.748250 8.748250 6.248750 -Sn 4.999000 2.499500 7.498500 -C 6.248750 3.749250 8.748250 -Sn 7.498500 4.999000 7.498500 -C 8.748250 6.248750 8.748250 -Sn 9.998000 7.498500 7.498500 -C 11.247750 8.748250 8.748250 -Sn 0.000000 4.999000 4.999000 -C 1.249750 6.248750 6.248750 -Sn 2.499500 7.498500 4.999000 -C 3.749250 8.748250 6.248750 -Sn 4.999000 9.998000 4.999000 -C 6.248750 11.247750 6.248750 -Sn 2.499500 4.999000 7.498500 -C 3.749250 6.248750 8.748250 -Sn 4.999000 7.498500 7.498500 -C 6.248750 8.748250 8.748250 -Sn 7.498500 9.998000 7.498500 -C 8.748250 11.247750 8.748250 -Sn 4.999000 4.999000 9.998000 -C 6.248750 6.248750 11.247750 -Sn 7.498500 7.498500 9.998000 -C 8.748250 8.748250 11.247750 -Sn 9.998000 9.998000 9.998000 -C 11.247750 11.247750 11.247750 diff --git a/data/compressed_sensing/structures/ZB_structures/CaO.xyz b/data/compressed_sensing/structures/ZB_structures/CaO.xyz deleted file mode 100644 index 6be73f3fbfc455e744418c3cb5f4376d43c7c6fc..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CaO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -O 1.280250 1.280250 1.280250 -Ca 2.560500 2.560500 0.000000 -O 3.840750 3.840750 1.280250 -Ca 5.121000 5.121000 0.000000 -O 6.401250 6.401250 1.280250 -Ca 2.560500 0.000000 2.560500 -O 3.840750 1.280250 3.840750 -Ca 5.121000 2.560500 2.560500 -O 6.401250 3.840750 3.840750 -Ca 7.681500 5.121000 2.560500 -O 8.961750 6.401250 3.840750 -Ca 5.121000 0.000000 5.121000 -O 6.401250 1.280250 6.401250 -Ca 7.681500 2.560500 5.121000 -O 8.961750 3.840750 6.401250 -Ca 10.242000 5.121000 5.121000 -O 11.522250 6.401250 6.401250 -Ca 0.000000 2.560500 2.560500 -O 1.280250 3.840750 3.840750 -Ca 2.560500 5.121000 2.560500 -O 3.840750 6.401250 3.840750 -Ca 5.121000 7.681500 2.560500 -O 6.401250 8.961750 3.840750 -Ca 2.560500 2.560500 5.121000 -O 3.840750 3.840750 6.401250 -Ca 5.121000 5.121000 5.121000 -O 6.401250 6.401250 6.401250 -Ca 7.681500 7.681500 5.121000 -O 8.961750 8.961750 6.401250 -Ca 5.121000 2.560500 7.681500 -O 6.401250 3.840750 8.961750 -Ca 7.681500 5.121000 7.681500 -O 8.961750 6.401250 8.961750 -Ca 10.242000 7.681500 7.681500 -O 11.522250 8.961750 8.961750 -Ca 0.000000 5.121000 5.121000 -O 1.280250 6.401250 6.401250 -Ca 2.560500 7.681500 5.121000 -O 3.840750 8.961750 6.401250 -Ca 5.121000 10.242000 5.121000 -O 6.401250 11.522250 6.401250 -Ca 2.560500 5.121000 7.681500 -O 3.840750 6.401250 8.961750 -Ca 5.121000 7.681500 7.681500 -O 6.401250 8.961750 8.961750 -Ca 7.681500 10.242000 7.681500 -O 8.961750 11.522250 8.961750 -Ca 5.121000 5.121000 10.242000 -O 6.401250 6.401250 11.522250 -Ca 7.681500 7.681500 10.242000 -O 8.961750 8.961750 11.522250 -Ca 10.242000 10.242000 10.242000 -O 11.522250 11.522250 11.522250 diff --git a/data/compressed_sensing/structures/ZB_structures/CaS.xyz b/data/compressed_sensing/structures/ZB_structures/CaS.xyz deleted file mode 100644 index 63f3a42bbb39882d16089de1452031331ed55da0..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CaS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -S 1.539000 1.539000 1.539000 -Ca 3.078000 3.078000 0.000000 -S 4.617000 4.617000 1.539000 -Ca 6.156000 6.156000 0.000000 -S 7.695000 7.695000 1.539000 -Ca 3.078000 0.000000 3.078000 -S 4.617000 1.539000 4.617000 -Ca 6.156000 3.078000 3.078000 -S 7.695000 4.617000 4.617000 -Ca 9.234000 6.156000 3.078000 -S 10.773000 7.695000 4.617000 -Ca 6.156000 0.000000 6.156000 -S 7.695000 1.539000 7.695000 -Ca 9.234000 3.078000 6.156000 -S 10.773000 4.617000 7.695000 -Ca 12.312000 6.156000 6.156000 -S 13.851000 7.695000 7.695000 -Ca 0.000000 3.078000 3.078000 -S 1.539000 4.617000 4.617000 -Ca 3.078000 6.156000 3.078000 -S 4.617000 7.695000 4.617000 -Ca 6.156000 9.234000 3.078000 -S 7.695000 10.773000 4.617000 -Ca 3.078000 3.078000 6.156000 -S 4.617000 4.617000 7.695000 -Ca 6.156000 6.156000 6.156000 -S 7.695000 7.695000 7.695000 -Ca 9.234000 9.234000 6.156000 -S 10.773000 10.773000 7.695000 -Ca 6.156000 3.078000 9.234000 -S 7.695000 4.617000 10.773000 -Ca 9.234000 6.156000 9.234000 -S 10.773000 7.695000 10.773000 -Ca 12.312000 9.234000 9.234000 -S 13.851000 10.773000 10.773000 -Ca 0.000000 6.156000 6.156000 -S 1.539000 7.695000 7.695000 -Ca 3.078000 9.234000 6.156000 -S 4.617000 10.773000 7.695000 -Ca 6.156000 12.312000 6.156000 -S 7.695000 13.851000 7.695000 -Ca 3.078000 6.156000 9.234000 -S 4.617000 7.695000 10.773000 -Ca 6.156000 9.234000 9.234000 -S 7.695000 10.773000 10.773000 -Ca 9.234000 12.312000 9.234000 -S 10.773000 13.851000 10.773000 -Ca 6.156000 6.156000 12.312000 -S 7.695000 7.695000 13.851000 -Ca 9.234000 9.234000 12.312000 -S 10.773000 10.773000 13.851000 -Ca 12.312000 12.312000 12.312000 -S 13.851000 13.851000 13.851000 diff --git a/data/compressed_sensing/structures/ZB_structures/CaSe.xyz b/data/compressed_sensing/structures/ZB_structures/CaSe.xyz deleted file mode 100644 index 73a2634db9cb066a9f02eacc52cc8a9b816b146a..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CaSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -Se 1.604500 1.604500 1.604500 -Ca 3.209000 3.209000 0.000000 -Se 4.813500 4.813500 1.604500 -Ca 6.418000 6.418000 0.000000 -Se 8.022500 8.022500 1.604500 -Ca 3.209000 0.000000 3.209000 -Se 4.813500 1.604500 4.813500 -Ca 6.418000 3.209000 3.209000 -Se 8.022500 4.813500 4.813500 -Ca 9.627000 6.418000 3.209000 -Se 11.231500 8.022500 4.813500 -Ca 6.418000 0.000000 6.418000 -Se 8.022500 1.604500 8.022500 -Ca 9.627000 3.209000 6.418000 -Se 11.231500 4.813500 8.022500 -Ca 12.836000 6.418000 6.418000 -Se 14.440500 8.022500 8.022500 -Ca 0.000000 3.209000 3.209000 -Se 1.604500 4.813500 4.813500 -Ca 3.209000 6.418000 3.209000 -Se 4.813500 8.022500 4.813500 -Ca 6.418000 9.627000 3.209000 -Se 8.022500 11.231500 4.813500 -Ca 3.209000 3.209000 6.418000 -Se 4.813500 4.813500 8.022500 -Ca 6.418000 6.418000 6.418000 -Se 8.022500 8.022500 8.022500 -Ca 9.627000 9.627000 6.418000 -Se 11.231500 11.231500 8.022500 -Ca 6.418000 3.209000 9.627000 -Se 8.022500 4.813500 11.231500 -Ca 9.627000 6.418000 9.627000 -Se 11.231500 8.022500 11.231500 -Ca 12.836000 9.627000 9.627000 -Se 14.440500 11.231500 11.231500 -Ca 0.000000 6.418000 6.418000 -Se 1.604500 8.022500 8.022500 -Ca 3.209000 9.627000 6.418000 -Se 4.813500 11.231500 8.022500 -Ca 6.418000 12.836000 6.418000 -Se 8.022500 14.440500 8.022500 -Ca 3.209000 6.418000 9.627000 -Se 4.813500 8.022500 11.231500 -Ca 6.418000 9.627000 9.627000 -Se 8.022500 11.231500 11.231500 -Ca 9.627000 12.836000 9.627000 -Se 11.231500 14.440500 11.231500 -Ca 6.418000 6.418000 12.836000 -Se 8.022500 8.022500 14.440500 -Ca 9.627000 9.627000 12.836000 -Se 11.231500 11.231500 14.440500 -Ca 12.836000 12.836000 12.836000 -Se 14.440500 14.440500 14.440500 diff --git a/data/compressed_sensing/structures/ZB_structures/CaTe.xyz b/data/compressed_sensing/structures/ZB_structures/CaTe.xyz deleted file mode 100644 index d722a1b23788fcdfca2dea2204d4e56b265856e5..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CaTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ca 0.000000 0.000000 0.000000 -Te 1.728250 1.728250 1.728250 -Ca 3.456500 3.456500 0.000000 -Te 5.184750 5.184750 1.728250 -Ca 6.913000 6.913000 0.000000 -Te 8.641250 8.641250 1.728250 -Ca 3.456500 0.000000 3.456500 -Te 5.184750 1.728250 5.184750 -Ca 6.913000 3.456500 3.456500 -Te 8.641250 5.184750 5.184750 -Ca 10.369500 6.913000 3.456500 -Te 12.097750 8.641250 5.184750 -Ca 6.913000 0.000000 6.913000 -Te 8.641250 1.728250 8.641250 -Ca 10.369500 3.456500 6.913000 -Te 12.097750 5.184750 8.641250 -Ca 13.826000 6.913000 6.913000 -Te 15.554250 8.641250 8.641250 -Ca 0.000000 3.456500 3.456500 -Te 1.728250 5.184750 5.184750 -Ca 3.456500 6.913000 3.456500 -Te 5.184750 8.641250 5.184750 -Ca 6.913000 10.369500 3.456500 -Te 8.641250 12.097750 5.184750 -Ca 3.456500 3.456500 6.913000 -Te 5.184750 5.184750 8.641250 -Ca 6.913000 6.913000 6.913000 -Te 8.641250 8.641250 8.641250 -Ca 10.369500 10.369500 6.913000 -Te 12.097750 12.097750 8.641250 -Ca 6.913000 3.456500 10.369500 -Te 8.641250 5.184750 12.097750 -Ca 10.369500 6.913000 10.369500 -Te 12.097750 8.641250 12.097750 -Ca 13.826000 10.369500 10.369500 -Te 15.554250 12.097750 12.097750 -Ca 0.000000 6.913000 6.913000 -Te 1.728250 8.641250 8.641250 -Ca 3.456500 10.369500 6.913000 -Te 5.184750 12.097750 8.641250 -Ca 6.913000 13.826000 6.913000 -Te 8.641250 15.554250 8.641250 -Ca 3.456500 6.913000 10.369500 -Te 5.184750 8.641250 12.097750 -Ca 6.913000 10.369500 10.369500 -Te 8.641250 12.097750 12.097750 -Ca 10.369500 13.826000 10.369500 -Te 12.097750 15.554250 12.097750 -Ca 6.913000 6.913000 13.826000 -Te 8.641250 8.641250 15.554250 -Ca 10.369500 10.369500 13.826000 -Te 12.097750 12.097750 15.554250 -Ca 13.826000 13.826000 13.826000 -Te 15.554250 15.554250 15.554250 diff --git a/data/compressed_sensing/structures/ZB_structures/CdO.xyz b/data/compressed_sensing/structures/ZB_structures/CdO.xyz deleted file mode 100644 index f04076d97879a48e213c744ee8e3f242d545400d..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CdO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -O 1.248250 1.248250 1.248250 -Cd 2.496500 2.496500 0.000000 -O 3.744750 3.744750 1.248250 -Cd 4.993000 4.993000 0.000000 -O 6.241250 6.241250 1.248250 -Cd 2.496500 0.000000 2.496500 -O 3.744750 1.248250 3.744750 -Cd 4.993000 2.496500 2.496500 -O 6.241250 3.744750 3.744750 -Cd 7.489500 4.993000 2.496500 -O 8.737750 6.241250 3.744750 -Cd 4.993000 0.000000 4.993000 -O 6.241250 1.248250 6.241250 -Cd 7.489500 2.496500 4.993000 -O 8.737750 3.744750 6.241250 -Cd 9.986000 4.993000 4.993000 -O 11.234250 6.241250 6.241250 -Cd 0.000000 2.496500 2.496500 -O 1.248250 3.744750 3.744750 -Cd 2.496500 4.993000 2.496500 -O 3.744750 6.241250 3.744750 -Cd 4.993000 7.489500 2.496500 -O 6.241250 8.737750 3.744750 -Cd 2.496500 2.496500 4.993000 -O 3.744750 3.744750 6.241250 -Cd 4.993000 4.993000 4.993000 -O 6.241250 6.241250 6.241250 -Cd 7.489500 7.489500 4.993000 -O 8.737750 8.737750 6.241250 -Cd 4.993000 2.496500 7.489500 -O 6.241250 3.744750 8.737750 -Cd 7.489500 4.993000 7.489500 -O 8.737750 6.241250 8.737750 -Cd 9.986000 7.489500 7.489500 -O 11.234250 8.737750 8.737750 -Cd 0.000000 4.993000 4.993000 -O 1.248250 6.241250 6.241250 -Cd 2.496500 7.489500 4.993000 -O 3.744750 8.737750 6.241250 -Cd 4.993000 9.986000 4.993000 -O 6.241250 11.234250 6.241250 -Cd 2.496500 4.993000 7.489500 -O 3.744750 6.241250 8.737750 -Cd 4.993000 7.489500 7.489500 -O 6.241250 8.737750 8.737750 -Cd 7.489500 9.986000 7.489500 -O 8.737750 11.234250 8.737750 -Cd 4.993000 4.993000 9.986000 -O 6.241250 6.241250 11.234250 -Cd 7.489500 7.489500 9.986000 -O 8.737750 8.737750 11.234250 -Cd 9.986000 9.986000 9.986000 -O 11.234250 11.234250 11.234250 diff --git a/data/compressed_sensing/structures/ZB_structures/CdS.xyz b/data/compressed_sensing/structures/ZB_structures/CdS.xyz deleted file mode 100644 index afcf0aa510a21c33cced37517c5be46222e491f3..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CdS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -S 1.440000 1.440000 1.440000 -Cd 2.880000 2.880000 0.000000 -S 4.320000 4.320000 1.440000 -Cd 5.760000 5.760000 0.000000 -S 7.200000 7.200000 1.440000 -Cd 2.880000 0.000000 2.880000 -S 4.320000 1.440000 4.320000 -Cd 5.760000 2.880000 2.880000 -S 7.200000 4.320000 4.320000 -Cd 8.640000 5.760000 2.880000 -S 10.080000 7.200000 4.320000 -Cd 5.760000 0.000000 5.760000 -S 7.200000 1.440000 7.200000 -Cd 8.640000 2.880000 5.760000 -S 10.080000 4.320000 7.200000 -Cd 11.520000 5.760000 5.760000 -S 12.960000 7.200000 7.200000 -Cd 0.000000 2.880000 2.880000 -S 1.440000 4.320000 4.320000 -Cd 2.880000 5.760000 2.880000 -S 4.320000 7.200000 4.320000 -Cd 5.760000 8.640000 2.880000 -S 7.200000 10.080000 4.320000 -Cd 2.880000 2.880000 5.760000 -S 4.320000 4.320000 7.200000 -Cd 5.760000 5.760000 5.760000 -S 7.200000 7.200000 7.200000 -Cd 8.640000 8.640000 5.760000 -S 10.080000 10.080000 7.200000 -Cd 5.760000 2.880000 8.640000 -S 7.200000 4.320000 10.080000 -Cd 8.640000 5.760000 8.640000 -S 10.080000 7.200000 10.080000 -Cd 11.520000 8.640000 8.640000 -S 12.960000 10.080000 10.080000 -Cd 0.000000 5.760000 5.760000 -S 1.440000 7.200000 7.200000 -Cd 2.880000 8.640000 5.760000 -S 4.320000 10.080000 7.200000 -Cd 5.760000 11.520000 5.760000 -S 7.200000 12.960000 7.200000 -Cd 2.880000 5.760000 8.640000 -S 4.320000 7.200000 10.080000 -Cd 5.760000 8.640000 8.640000 -S 7.200000 10.080000 10.080000 -Cd 8.640000 11.520000 8.640000 -S 10.080000 12.960000 10.080000 -Cd 5.760000 5.760000 11.520000 -S 7.200000 7.200000 12.960000 -Cd 8.640000 8.640000 11.520000 -S 10.080000 10.080000 12.960000 -Cd 11.520000 11.520000 11.520000 -S 12.960000 12.960000 12.960000 diff --git a/data/compressed_sensing/structures/ZB_structures/CdSe.xyz b/data/compressed_sensing/structures/ZB_structures/CdSe.xyz deleted file mode 100644 index 86831365f349be9373a8e2315d5e4420ae950fe0..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CdSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -Se 1.503250 1.503250 1.503250 -Cd 3.006500 3.006500 0.000000 -Se 4.509750 4.509750 1.503250 -Cd 6.013000 6.013000 0.000000 -Se 7.516250 7.516250 1.503250 -Cd 3.006500 0.000000 3.006500 -Se 4.509750 1.503250 4.509750 -Cd 6.013000 3.006500 3.006500 -Se 7.516250 4.509750 4.509750 -Cd 9.019500 6.013000 3.006500 -Se 10.522750 7.516250 4.509750 -Cd 6.013000 0.000000 6.013000 -Se 7.516250 1.503250 7.516250 -Cd 9.019500 3.006500 6.013000 -Se 10.522750 4.509750 7.516250 -Cd 12.026000 6.013000 6.013000 -Se 13.529250 7.516250 7.516250 -Cd 0.000000 3.006500 3.006500 -Se 1.503250 4.509750 4.509750 -Cd 3.006500 6.013000 3.006500 -Se 4.509750 7.516250 4.509750 -Cd 6.013000 9.019500 3.006500 -Se 7.516250 10.522750 4.509750 -Cd 3.006500 3.006500 6.013000 -Se 4.509750 4.509750 7.516250 -Cd 6.013000 6.013000 6.013000 -Se 7.516250 7.516250 7.516250 -Cd 9.019500 9.019500 6.013000 -Se 10.522750 10.522750 7.516250 -Cd 6.013000 3.006500 9.019500 -Se 7.516250 4.509750 10.522750 -Cd 9.019500 6.013000 9.019500 -Se 10.522750 7.516250 10.522750 -Cd 12.026000 9.019500 9.019500 -Se 13.529250 10.522750 10.522750 -Cd 0.000000 6.013000 6.013000 -Se 1.503250 7.516250 7.516250 -Cd 3.006500 9.019500 6.013000 -Se 4.509750 10.522750 7.516250 -Cd 6.013000 12.026000 6.013000 -Se 7.516250 13.529250 7.516250 -Cd 3.006500 6.013000 9.019500 -Se 4.509750 7.516250 10.522750 -Cd 6.013000 9.019500 9.019500 -Se 7.516250 10.522750 10.522750 -Cd 9.019500 12.026000 9.019500 -Se 10.522750 13.529250 10.522750 -Cd 6.013000 6.013000 12.026000 -Se 7.516250 7.516250 13.529250 -Cd 9.019500 9.019500 12.026000 -Se 10.522750 10.522750 13.529250 -Cd 12.026000 12.026000 12.026000 -Se 13.529250 13.529250 13.529250 diff --git a/data/compressed_sensing/structures/ZB_structures/CdTe.xyz b/data/compressed_sensing/structures/ZB_structures/CdTe.xyz deleted file mode 100644 index 8ba6269a95f47bbf0ea83ceaeb41125dfea6c154..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CdTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cd 0.000000 0.000000 0.000000 -Te 1.603500 1.603500 1.603500 -Cd 3.207000 3.207000 0.000000 -Te 4.810500 4.810500 1.603500 -Cd 6.414000 6.414000 0.000000 -Te 8.017500 8.017500 1.603500 -Cd 3.207000 0.000000 3.207000 -Te 4.810500 1.603500 4.810500 -Cd 6.414000 3.207000 3.207000 -Te 8.017500 4.810500 4.810500 -Cd 9.621000 6.414000 3.207000 -Te 11.224500 8.017500 4.810500 -Cd 6.414000 0.000000 6.414000 -Te 8.017500 1.603500 8.017500 -Cd 9.621000 3.207000 6.414000 -Te 11.224500 4.810500 8.017500 -Cd 12.828000 6.414000 6.414000 -Te 14.431500 8.017500 8.017500 -Cd 0.000000 3.207000 3.207000 -Te 1.603500 4.810500 4.810500 -Cd 3.207000 6.414000 3.207000 -Te 4.810500 8.017500 4.810500 -Cd 6.414000 9.621000 3.207000 -Te 8.017500 11.224500 4.810500 -Cd 3.207000 3.207000 6.414000 -Te 4.810500 4.810500 8.017500 -Cd 6.414000 6.414000 6.414000 -Te 8.017500 8.017500 8.017500 -Cd 9.621000 9.621000 6.414000 -Te 11.224500 11.224500 8.017500 -Cd 6.414000 3.207000 9.621000 -Te 8.017500 4.810500 11.224500 -Cd 9.621000 6.414000 9.621000 -Te 11.224500 8.017500 11.224500 -Cd 12.828000 9.621000 9.621000 -Te 14.431500 11.224500 11.224500 -Cd 0.000000 6.414000 6.414000 -Te 1.603500 8.017500 8.017500 -Cd 3.207000 9.621000 6.414000 -Te 4.810500 11.224500 8.017500 -Cd 6.414000 12.828000 6.414000 -Te 8.017500 14.431500 8.017500 -Cd 3.207000 6.414000 9.621000 -Te 4.810500 8.017500 11.224500 -Cd 6.414000 9.621000 9.621000 -Te 8.017500 11.224500 11.224500 -Cd 9.621000 12.828000 9.621000 -Te 11.224500 14.431500 11.224500 -Cd 6.414000 6.414000 12.828000 -Te 8.017500 8.017500 14.431500 -Cd 9.621000 9.621000 12.828000 -Te 11.224500 11.224500 14.431500 -Cd 12.828000 12.828000 12.828000 -Te 14.431500 14.431500 14.431500 diff --git a/data/compressed_sensing/structures/ZB_structures/ClCs.xyz b/data/compressed_sensing/structures/ZB_structures/ClCs.xyz deleted file mode 100644 index 88e3ba623a5ce82a6061b7578696feddf3c29d4b..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ClCs.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cs 0.000000 0.000000 0.000000 -Cl 1.871250 1.871250 1.871250 -Cs 3.742500 3.742500 0.000000 -Cl 5.613750 5.613750 1.871250 -Cs 7.485000 7.485000 0.000000 -Cl 9.356250 9.356250 1.871250 -Cs 3.742500 0.000000 3.742500 -Cl 5.613750 1.871250 5.613750 -Cs 7.485000 3.742500 3.742500 -Cl 9.356250 5.613750 5.613750 -Cs 11.227500 7.485000 3.742500 -Cl 13.098750 9.356250 5.613750 -Cs 7.485000 0.000000 7.485000 -Cl 9.356250 1.871250 9.356250 -Cs 11.227500 3.742500 7.485000 -Cl 13.098750 5.613750 9.356250 -Cs 14.970000 7.485000 7.485000 -Cl 16.841250 9.356250 9.356250 -Cs 0.000000 3.742500 3.742500 -Cl 1.871250 5.613750 5.613750 -Cs 3.742500 7.485000 3.742500 -Cl 5.613750 9.356250 5.613750 -Cs 7.485000 11.227500 3.742500 -Cl 9.356250 13.098750 5.613750 -Cs 3.742500 3.742500 7.485000 -Cl 5.613750 5.613750 9.356250 -Cs 7.485000 7.485000 7.485000 -Cl 9.356250 9.356250 9.356250 -Cs 11.227500 11.227500 7.485000 -Cl 13.098750 13.098750 9.356250 -Cs 7.485000 3.742500 11.227500 -Cl 9.356250 5.613750 13.098750 -Cs 11.227500 7.485000 11.227500 -Cl 13.098750 9.356250 13.098750 -Cs 14.970000 11.227500 11.227500 -Cl 16.841250 13.098750 13.098750 -Cs 0.000000 7.485000 7.485000 -Cl 1.871250 9.356250 9.356250 -Cs 3.742500 11.227500 7.485000 -Cl 5.613750 13.098750 9.356250 -Cs 7.485000 14.970000 7.485000 -Cl 9.356250 16.841250 9.356250 -Cs 3.742500 7.485000 11.227500 -Cl 5.613750 9.356250 13.098750 -Cs 7.485000 11.227500 11.227500 -Cl 9.356250 13.098750 13.098750 -Cs 11.227500 14.970000 11.227500 -Cl 13.098750 16.841250 13.098750 -Cs 7.485000 7.485000 14.970000 -Cl 9.356250 9.356250 16.841250 -Cs 11.227500 11.227500 14.970000 -Cl 13.098750 13.098750 16.841250 -Cs 14.970000 14.970000 14.970000 -Cl 16.841250 16.841250 16.841250 diff --git a/data/compressed_sensing/structures/ZB_structures/ClCu.xyz b/data/compressed_sensing/structures/ZB_structures/ClCu.xyz deleted file mode 100644 index 46159581ccb30f09e24d1b361334cf4e88b12ea6..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ClCu.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cu 0.000000 0.000000 0.000000 -Cl 1.302500 1.302500 1.302500 -Cu 2.605000 2.605000 0.000000 -Cl 3.907500 3.907500 1.302500 -Cu 5.210000 5.210000 0.000000 -Cl 6.512500 6.512500 1.302500 -Cu 2.605000 0.000000 2.605000 -Cl 3.907500 1.302500 3.907500 -Cu 5.210000 2.605000 2.605000 -Cl 6.512500 3.907500 3.907500 -Cu 7.815000 5.210000 2.605000 -Cl 9.117500 6.512500 3.907500 -Cu 5.210000 0.000000 5.210000 -Cl 6.512500 1.302500 6.512500 -Cu 7.815000 2.605000 5.210000 -Cl 9.117500 3.907500 6.512500 -Cu 10.420000 5.210000 5.210000 -Cl 11.722500 6.512500 6.512500 -Cu 0.000000 2.605000 2.605000 -Cl 1.302500 3.907500 3.907500 -Cu 2.605000 5.210000 2.605000 -Cl 3.907500 6.512500 3.907500 -Cu 5.210000 7.815000 2.605000 -Cl 6.512500 9.117500 3.907500 -Cu 2.605000 2.605000 5.210000 -Cl 3.907500 3.907500 6.512500 -Cu 5.210000 5.210000 5.210000 -Cl 6.512500 6.512500 6.512500 -Cu 7.815000 7.815000 5.210000 -Cl 9.117500 9.117500 6.512500 -Cu 5.210000 2.605000 7.815000 -Cl 6.512500 3.907500 9.117500 -Cu 7.815000 5.210000 7.815000 -Cl 9.117500 6.512500 9.117500 -Cu 10.420000 7.815000 7.815000 -Cl 11.722500 9.117500 9.117500 -Cu 0.000000 5.210000 5.210000 -Cl 1.302500 6.512500 6.512500 -Cu 2.605000 7.815000 5.210000 -Cl 3.907500 9.117500 6.512500 -Cu 5.210000 10.420000 5.210000 -Cl 6.512500 11.722500 6.512500 -Cu 2.605000 5.210000 7.815000 -Cl 3.907500 6.512500 9.117500 -Cu 5.210000 7.815000 7.815000 -Cl 6.512500 9.117500 9.117500 -Cu 7.815000 10.420000 7.815000 -Cl 9.117500 11.722500 9.117500 -Cu 5.210000 5.210000 10.420000 -Cl 6.512500 6.512500 11.722500 -Cu 7.815000 7.815000 10.420000 -Cl 9.117500 9.117500 11.722500 -Cu 10.420000 10.420000 10.420000 -Cl 11.722500 11.722500 11.722500 diff --git a/data/compressed_sensing/structures/ZB_structures/ClK.xyz b/data/compressed_sensing/structures/ZB_structures/ClK.xyz deleted file mode 100644 index b0691e5aeb1ad81e48116a8cc83f473555299b19..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ClK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -Cl 1.693250 1.693250 1.693250 -K 3.386500 3.386500 0.000000 -Cl 5.079750 5.079750 1.693250 -K 6.773000 6.773000 0.000000 -Cl 8.466250 8.466250 1.693250 -K 3.386500 0.000000 3.386500 -Cl 5.079750 1.693250 5.079750 -K 6.773000 3.386500 3.386500 -Cl 8.466250 5.079750 5.079750 -K 10.159500 6.773000 3.386500 -Cl 11.852750 8.466250 5.079750 -K 6.773000 0.000000 6.773000 -Cl 8.466250 1.693250 8.466250 -K 10.159500 3.386500 6.773000 -Cl 11.852750 5.079750 8.466250 -K 13.546000 6.773000 6.773000 -Cl 15.239250 8.466250 8.466250 -K 0.000000 3.386500 3.386500 -Cl 1.693250 5.079750 5.079750 -K 3.386500 6.773000 3.386500 -Cl 5.079750 8.466250 5.079750 -K 6.773000 10.159500 3.386500 -Cl 8.466250 11.852750 5.079750 -K 3.386500 3.386500 6.773000 -Cl 5.079750 5.079750 8.466250 -K 6.773000 6.773000 6.773000 -Cl 8.466250 8.466250 8.466250 -K 10.159500 10.159500 6.773000 -Cl 11.852750 11.852750 8.466250 -K 6.773000 3.386500 10.159500 -Cl 8.466250 5.079750 11.852750 -K 10.159500 6.773000 10.159500 -Cl 11.852750 8.466250 11.852750 -K 13.546000 10.159500 10.159500 -Cl 15.239250 11.852750 11.852750 -K 0.000000 6.773000 6.773000 -Cl 1.693250 8.466250 8.466250 -K 3.386500 10.159500 6.773000 -Cl 5.079750 11.852750 8.466250 -K 6.773000 13.546000 6.773000 -Cl 8.466250 15.239250 8.466250 -K 3.386500 6.773000 10.159500 -Cl 5.079750 8.466250 11.852750 -K 6.773000 10.159500 10.159500 -Cl 8.466250 11.852750 11.852750 -K 10.159500 13.546000 10.159500 -Cl 11.852750 15.239250 11.852750 -K 6.773000 6.773000 13.546000 -Cl 8.466250 8.466250 15.239250 -K 10.159500 10.159500 13.546000 -Cl 11.852750 11.852750 15.239250 -K 13.546000 13.546000 13.546000 -Cl 15.239250 15.239250 15.239250 diff --git a/data/compressed_sensing/structures/ZB_structures/ClLi.xyz b/data/compressed_sensing/structures/ZB_structures/ClLi.xyz deleted file mode 100644 index 258caf09067507692d0238c4c171d7a8583a4a0c..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ClLi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -Cl 1.332500 1.332500 1.332500 -Li 2.665000 2.665000 0.000000 -Cl 3.997500 3.997500 1.332500 -Li 5.330000 5.330000 0.000000 -Cl 6.662500 6.662500 1.332500 -Li 2.665000 0.000000 2.665000 -Cl 3.997500 1.332500 3.997500 -Li 5.330000 2.665000 2.665000 -Cl 6.662500 3.997500 3.997500 -Li 7.995000 5.330000 2.665000 -Cl 9.327500 6.662500 3.997500 -Li 5.330000 0.000000 5.330000 -Cl 6.662500 1.332500 6.662500 -Li 7.995000 2.665000 5.330000 -Cl 9.327500 3.997500 6.662500 -Li 10.660000 5.330000 5.330000 -Cl 11.992500 6.662500 6.662500 -Li 0.000000 2.665000 2.665000 -Cl 1.332500 3.997500 3.997500 -Li 2.665000 5.330000 2.665000 -Cl 3.997500 6.662500 3.997500 -Li 5.330000 7.995000 2.665000 -Cl 6.662500 9.327500 3.997500 -Li 2.665000 2.665000 5.330000 -Cl 3.997500 3.997500 6.662500 -Li 5.330000 5.330000 5.330000 -Cl 6.662500 6.662500 6.662500 -Li 7.995000 7.995000 5.330000 -Cl 9.327500 9.327500 6.662500 -Li 5.330000 2.665000 7.995000 -Cl 6.662500 3.997500 9.327500 -Li 7.995000 5.330000 7.995000 -Cl 9.327500 6.662500 9.327500 -Li 10.660000 7.995000 7.995000 -Cl 11.992500 9.327500 9.327500 -Li 0.000000 5.330000 5.330000 -Cl 1.332500 6.662500 6.662500 -Li 2.665000 7.995000 5.330000 -Cl 3.997500 9.327500 6.662500 -Li 5.330000 10.660000 5.330000 -Cl 6.662500 11.992500 6.662500 -Li 2.665000 5.330000 7.995000 -Cl 3.997500 6.662500 9.327500 -Li 5.330000 7.995000 7.995000 -Cl 6.662500 9.327500 9.327500 -Li 7.995000 10.660000 7.995000 -Cl 9.327500 11.992500 9.327500 -Li 5.330000 5.330000 10.660000 -Cl 6.662500 6.662500 11.992500 -Li 7.995000 7.995000 10.660000 -Cl 9.327500 9.327500 11.992500 -Li 10.660000 10.660000 10.660000 -Cl 11.992500 11.992500 11.992500 diff --git a/data/compressed_sensing/structures/ZB_structures/ClNa.xyz b/data/compressed_sensing/structures/ZB_structures/ClNa.xyz deleted file mode 100644 index 94e8ac8431488f46a2cd07f14af520b00cee3d19..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ClNa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -Cl 1.507750 1.507750 1.507750 -Na 3.015500 3.015500 0.000000 -Cl 4.523250 4.523250 1.507750 -Na 6.031000 6.031000 0.000000 -Cl 7.538750 7.538750 1.507750 -Na 3.015500 0.000000 3.015500 -Cl 4.523250 1.507750 4.523250 -Na 6.031000 3.015500 3.015500 -Cl 7.538750 4.523250 4.523250 -Na 9.046500 6.031000 3.015500 -Cl 10.554250 7.538750 4.523250 -Na 6.031000 0.000000 6.031000 -Cl 7.538750 1.507750 7.538750 -Na 9.046500 3.015500 6.031000 -Cl 10.554250 4.523250 7.538750 -Na 12.062000 6.031000 6.031000 -Cl 13.569750 7.538750 7.538750 -Na 0.000000 3.015500 3.015500 -Cl 1.507750 4.523250 4.523250 -Na 3.015500 6.031000 3.015500 -Cl 4.523250 7.538750 4.523250 -Na 6.031000 9.046500 3.015500 -Cl 7.538750 10.554250 4.523250 -Na 3.015500 3.015500 6.031000 -Cl 4.523250 4.523250 7.538750 -Na 6.031000 6.031000 6.031000 -Cl 7.538750 7.538750 7.538750 -Na 9.046500 9.046500 6.031000 -Cl 10.554250 10.554250 7.538750 -Na 6.031000 3.015500 9.046500 -Cl 7.538750 4.523250 10.554250 -Na 9.046500 6.031000 9.046500 -Cl 10.554250 7.538750 10.554250 -Na 12.062000 9.046500 9.046500 -Cl 13.569750 10.554250 10.554250 -Na 0.000000 6.031000 6.031000 -Cl 1.507750 7.538750 7.538750 -Na 3.015500 9.046500 6.031000 -Cl 4.523250 10.554250 7.538750 -Na 6.031000 12.062000 6.031000 -Cl 7.538750 13.569750 7.538750 -Na 3.015500 6.031000 9.046500 -Cl 4.523250 7.538750 10.554250 -Na 6.031000 9.046500 9.046500 -Cl 7.538750 10.554250 10.554250 -Na 9.046500 12.062000 9.046500 -Cl 10.554250 13.569750 10.554250 -Na 6.031000 6.031000 12.062000 -Cl 7.538750 7.538750 13.569750 -Na 9.046500 9.046500 12.062000 -Cl 10.554250 10.554250 13.569750 -Na 12.062000 12.062000 12.062000 -Cl 13.569750 13.569750 13.569750 diff --git a/data/compressed_sensing/structures/ZB_structures/ClRb.xyz b/data/compressed_sensing/structures/ZB_structures/ClRb.xyz deleted file mode 100644 index 07783330278bc721bd138e3bf9da1daa8ae8b3e8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ClRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -Cl 1.776500 1.776500 1.776500 -Rb 3.553000 3.553000 0.000000 -Cl 5.329500 5.329500 1.776500 -Rb 7.106000 7.106000 0.000000 -Cl 8.882500 8.882500 1.776500 -Rb 3.553000 0.000000 3.553000 -Cl 5.329500 1.776500 5.329500 -Rb 7.106000 3.553000 3.553000 -Cl 8.882500 5.329500 5.329500 -Rb 10.659000 7.106000 3.553000 -Cl 12.435500 8.882500 5.329500 -Rb 7.106000 0.000000 7.106000 -Cl 8.882500 1.776500 8.882500 -Rb 10.659000 3.553000 7.106000 -Cl 12.435500 5.329500 8.882500 -Rb 14.212000 7.106000 7.106000 -Cl 15.988500 8.882500 8.882500 -Rb 0.000000 3.553000 3.553000 -Cl 1.776500 5.329500 5.329500 -Rb 3.553000 7.106000 3.553000 -Cl 5.329500 8.882500 5.329500 -Rb 7.106000 10.659000 3.553000 -Cl 8.882500 12.435500 5.329500 -Rb 3.553000 3.553000 7.106000 -Cl 5.329500 5.329500 8.882500 -Rb 7.106000 7.106000 7.106000 -Cl 8.882500 8.882500 8.882500 -Rb 10.659000 10.659000 7.106000 -Cl 12.435500 12.435500 8.882500 -Rb 7.106000 3.553000 10.659000 -Cl 8.882500 5.329500 12.435500 -Rb 10.659000 7.106000 10.659000 -Cl 12.435500 8.882500 12.435500 -Rb 14.212000 10.659000 10.659000 -Cl 15.988500 12.435500 12.435500 -Rb 0.000000 7.106000 7.106000 -Cl 1.776500 8.882500 8.882500 -Rb 3.553000 10.659000 7.106000 -Cl 5.329500 12.435500 8.882500 -Rb 7.106000 14.212000 7.106000 -Cl 8.882500 15.988500 8.882500 -Rb 3.553000 7.106000 10.659000 -Cl 5.329500 8.882500 12.435500 -Rb 7.106000 10.659000 10.659000 -Cl 8.882500 12.435500 12.435500 -Rb 10.659000 14.212000 10.659000 -Cl 12.435500 15.988500 12.435500 -Rb 7.106000 7.106000 14.212000 -Cl 8.882500 8.882500 15.988500 -Rb 10.659000 10.659000 14.212000 -Cl 12.435500 12.435500 15.988500 -Rb 14.212000 14.212000 14.212000 -Cl 15.988500 15.988500 15.988500 diff --git a/data/compressed_sensing/structures/ZB_structures/CsF.xyz b/data/compressed_sensing/structures/ZB_structures/CsF.xyz deleted file mode 100644 index dd37512572f14c5a4e2931fea4c4ead8d89659f9..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CsF.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cs 0.000000 0.000000 0.000000 -F 1.585500 1.585500 1.585500 -Cs 3.171000 3.171000 0.000000 -F 4.756500 4.756500 1.585500 -Cs 6.342000 6.342000 0.000000 -F 7.927500 7.927500 1.585500 -Cs 3.171000 0.000000 3.171000 -F 4.756500 1.585500 4.756500 -Cs 6.342000 3.171000 3.171000 -F 7.927500 4.756500 4.756500 -Cs 9.513000 6.342000 3.171000 -F 11.098500 7.927500 4.756500 -Cs 6.342000 0.000000 6.342000 -F 7.927500 1.585500 7.927500 -Cs 9.513000 3.171000 6.342000 -F 11.098500 4.756500 7.927500 -Cs 12.684000 6.342000 6.342000 -F 14.269500 7.927500 7.927500 -Cs 0.000000 3.171000 3.171000 -F 1.585500 4.756500 4.756500 -Cs 3.171000 6.342000 3.171000 -F 4.756500 7.927500 4.756500 -Cs 6.342000 9.513000 3.171000 -F 7.927500 11.098500 4.756500 -Cs 3.171000 3.171000 6.342000 -F 4.756500 4.756500 7.927500 -Cs 6.342000 6.342000 6.342000 -F 7.927500 7.927500 7.927500 -Cs 9.513000 9.513000 6.342000 -F 11.098500 11.098500 7.927500 -Cs 6.342000 3.171000 9.513000 -F 7.927500 4.756500 11.098500 -Cs 9.513000 6.342000 9.513000 -F 11.098500 7.927500 11.098500 -Cs 12.684000 9.513000 9.513000 -F 14.269500 11.098500 11.098500 -Cs 0.000000 6.342000 6.342000 -F 1.585500 7.927500 7.927500 -Cs 3.171000 9.513000 6.342000 -F 4.756500 11.098500 7.927500 -Cs 6.342000 12.684000 6.342000 -F 7.927500 14.269500 7.927500 -Cs 3.171000 6.342000 9.513000 -F 4.756500 7.927500 11.098500 -Cs 6.342000 9.513000 9.513000 -F 7.927500 11.098500 11.098500 -Cs 9.513000 12.684000 9.513000 -F 11.098500 14.269500 11.098500 -Cs 6.342000 6.342000 12.684000 -F 7.927500 7.927500 14.269500 -Cs 9.513000 9.513000 12.684000 -F 11.098500 11.098500 14.269500 -Cs 12.684000 12.684000 12.684000 -F 14.269500 14.269500 14.269500 diff --git a/data/compressed_sensing/structures/ZB_structures/CsI.xyz b/data/compressed_sensing/structures/ZB_structures/CsI.xyz deleted file mode 100644 index 510c8a7cd767d9b7acb27114ae75c2fbdcfe96d3..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CsI.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cs 0.000000 0.000000 0.000000 -I 2.088000 2.088000 2.088000 -Cs 4.176000 4.176000 0.000000 -I 6.264000 6.264000 2.088000 -Cs 8.352000 8.352000 0.000000 -I 10.440000 10.440000 2.088000 -Cs 4.176000 0.000000 4.176000 -I 6.264000 2.088000 6.264000 -Cs 8.352000 4.176000 4.176000 -I 10.440000 6.264000 6.264000 -Cs 12.528000 8.352000 4.176000 -I 14.616000 10.440000 6.264000 -Cs 8.352000 0.000000 8.352000 -I 10.440000 2.088000 10.440000 -Cs 12.528000 4.176000 8.352000 -I 14.616000 6.264000 10.440000 -Cs 16.704000 8.352000 8.352000 -I 18.792000 10.440000 10.440000 -Cs 0.000000 4.176000 4.176000 -I 2.088000 6.264000 6.264000 -Cs 4.176000 8.352000 4.176000 -I 6.264000 10.440000 6.264000 -Cs 8.352000 12.528000 4.176000 -I 10.440000 14.616000 6.264000 -Cs 4.176000 4.176000 8.352000 -I 6.264000 6.264000 10.440000 -Cs 8.352000 8.352000 8.352000 -I 10.440000 10.440000 10.440000 -Cs 12.528000 12.528000 8.352000 -I 14.616000 14.616000 10.440000 -Cs 8.352000 4.176000 12.528000 -I 10.440000 6.264000 14.616000 -Cs 12.528000 8.352000 12.528000 -I 14.616000 10.440000 14.616000 -Cs 16.704000 12.528000 12.528000 -I 18.792000 14.616000 14.616000 -Cs 0.000000 8.352000 8.352000 -I 2.088000 10.440000 10.440000 -Cs 4.176000 12.528000 8.352000 -I 6.264000 14.616000 10.440000 -Cs 8.352000 16.704000 8.352000 -I 10.440000 18.792000 10.440000 -Cs 4.176000 8.352000 12.528000 -I 6.264000 10.440000 14.616000 -Cs 8.352000 12.528000 12.528000 -I 10.440000 14.616000 14.616000 -Cs 12.528000 16.704000 12.528000 -I 14.616000 18.792000 14.616000 -Cs 8.352000 8.352000 16.704000 -I 10.440000 10.440000 18.792000 -Cs 12.528000 12.528000 16.704000 -I 14.616000 14.616000 18.792000 -Cs 16.704000 16.704000 16.704000 -I 18.792000 18.792000 18.792000 diff --git a/data/compressed_sensing/structures/ZB_structures/CuF.xyz b/data/compressed_sensing/structures/ZB_structures/CuF.xyz deleted file mode 100644 index 1fb6cb1a1a6568fd6a58bcc2bd1b60ccfec06956..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CuF.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cu 0.000000 0.000000 0.000000 -F 1.165750 1.165750 1.165750 -Cu 2.331500 2.331500 0.000000 -F 3.497250 3.497250 1.165750 -Cu 4.663000 4.663000 0.000000 -F 5.828750 5.828750 1.165750 -Cu 2.331500 0.000000 2.331500 -F 3.497250 1.165750 3.497250 -Cu 4.663000 2.331500 2.331500 -F 5.828750 3.497250 3.497250 -Cu 6.994500 4.663000 2.331500 -F 8.160250 5.828750 3.497250 -Cu 4.663000 0.000000 4.663000 -F 5.828750 1.165750 5.828750 -Cu 6.994500 2.331500 4.663000 -F 8.160250 3.497250 5.828750 -Cu 9.326000 4.663000 4.663000 -F 10.491750 5.828750 5.828750 -Cu 0.000000 2.331500 2.331500 -F 1.165750 3.497250 3.497250 -Cu 2.331500 4.663000 2.331500 -F 3.497250 5.828750 3.497250 -Cu 4.663000 6.994500 2.331500 -F 5.828750 8.160250 3.497250 -Cu 2.331500 2.331500 4.663000 -F 3.497250 3.497250 5.828750 -Cu 4.663000 4.663000 4.663000 -F 5.828750 5.828750 5.828750 -Cu 6.994500 6.994500 4.663000 -F 8.160250 8.160250 5.828750 -Cu 4.663000 2.331500 6.994500 -F 5.828750 3.497250 8.160250 -Cu 6.994500 4.663000 6.994500 -F 8.160250 5.828750 8.160250 -Cu 9.326000 6.994500 6.994500 -F 10.491750 8.160250 8.160250 -Cu 0.000000 4.663000 4.663000 -F 1.165750 5.828750 5.828750 -Cu 2.331500 6.994500 4.663000 -F 3.497250 8.160250 5.828750 -Cu 4.663000 9.326000 4.663000 -F 5.828750 10.491750 5.828750 -Cu 2.331500 4.663000 6.994500 -F 3.497250 5.828750 8.160250 -Cu 4.663000 6.994500 6.994500 -F 5.828750 8.160250 8.160250 -Cu 6.994500 9.326000 6.994500 -F 8.160250 10.491750 8.160250 -Cu 4.663000 4.663000 9.326000 -F 5.828750 5.828750 10.491750 -Cu 6.994500 6.994500 9.326000 -F 8.160250 8.160250 10.491750 -Cu 9.326000 9.326000 9.326000 -F 10.491750 10.491750 10.491750 diff --git a/data/compressed_sensing/structures/ZB_structures/CuI.xyz b/data/compressed_sensing/structures/ZB_structures/CuI.xyz deleted file mode 100644 index b6215f3002f5cc8a6e7e6b8262cf401351920a55..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/CuI.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Cu 0.000000 0.000000 0.000000 -I 1.466000 1.466000 1.466000 -Cu 2.932000 2.932000 0.000000 -I 4.398000 4.398000 1.466000 -Cu 5.864000 5.864000 0.000000 -I 7.330000 7.330000 1.466000 -Cu 2.932000 0.000000 2.932000 -I 4.398000 1.466000 4.398000 -Cu 5.864000 2.932000 2.932000 -I 7.330000 4.398000 4.398000 -Cu 8.796000 5.864000 2.932000 -I 10.262000 7.330000 4.398000 -Cu 5.864000 0.000000 5.864000 -I 7.330000 1.466000 7.330000 -Cu 8.796000 2.932000 5.864000 -I 10.262000 4.398000 7.330000 -Cu 11.728000 5.864000 5.864000 -I 13.194000 7.330000 7.330000 -Cu 0.000000 2.932000 2.932000 -I 1.466000 4.398000 4.398000 -Cu 2.932000 5.864000 2.932000 -I 4.398000 7.330000 4.398000 -Cu 5.864000 8.796000 2.932000 -I 7.330000 10.262000 4.398000 -Cu 2.932000 2.932000 5.864000 -I 4.398000 4.398000 7.330000 -Cu 5.864000 5.864000 5.864000 -I 7.330000 7.330000 7.330000 -Cu 8.796000 8.796000 5.864000 -I 10.262000 10.262000 7.330000 -Cu 5.864000 2.932000 8.796000 -I 7.330000 4.398000 10.262000 -Cu 8.796000 5.864000 8.796000 -I 10.262000 7.330000 10.262000 -Cu 11.728000 8.796000 8.796000 -I 13.194000 10.262000 10.262000 -Cu 0.000000 5.864000 5.864000 -I 1.466000 7.330000 7.330000 -Cu 2.932000 8.796000 5.864000 -I 4.398000 10.262000 7.330000 -Cu 5.864000 11.728000 5.864000 -I 7.330000 13.194000 7.330000 -Cu 2.932000 5.864000 8.796000 -I 4.398000 7.330000 10.262000 -Cu 5.864000 8.796000 8.796000 -I 7.330000 10.262000 10.262000 -Cu 8.796000 11.728000 8.796000 -I 10.262000 13.194000 10.262000 -Cu 5.864000 5.864000 11.728000 -I 7.330000 7.330000 13.194000 -Cu 8.796000 8.796000 11.728000 -I 10.262000 10.262000 13.194000 -Cu 11.728000 11.728000 11.728000 -I 13.194000 13.194000 13.194000 diff --git a/data/compressed_sensing/structures/ZB_structures/FK.xyz b/data/compressed_sensing/structures/ZB_structures/FK.xyz deleted file mode 100644 index 1df69429fb02e970cc76de4206c2e551da63a31b..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/FK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -F 1.424250 1.424250 1.424250 -K 2.848500 2.848500 0.000000 -F 4.272750 4.272750 1.424250 -K 5.697000 5.697000 0.000000 -F 7.121250 7.121250 1.424250 -K 2.848500 0.000000 2.848500 -F 4.272750 1.424250 4.272750 -K 5.697000 2.848500 2.848500 -F 7.121250 4.272750 4.272750 -K 8.545500 5.697000 2.848500 -F 9.969750 7.121250 4.272750 -K 5.697000 0.000000 5.697000 -F 7.121250 1.424250 7.121250 -K 8.545500 2.848500 5.697000 -F 9.969750 4.272750 7.121250 -K 11.394000 5.697000 5.697000 -F 12.818250 7.121250 7.121250 -K 0.000000 2.848500 2.848500 -F 1.424250 4.272750 4.272750 -K 2.848500 5.697000 2.848500 -F 4.272750 7.121250 4.272750 -K 5.697000 8.545500 2.848500 -F 7.121250 9.969750 4.272750 -K 2.848500 2.848500 5.697000 -F 4.272750 4.272750 7.121250 -K 5.697000 5.697000 5.697000 -F 7.121250 7.121250 7.121250 -K 8.545500 8.545500 5.697000 -F 9.969750 9.969750 7.121250 -K 5.697000 2.848500 8.545500 -F 7.121250 4.272750 9.969750 -K 8.545500 5.697000 8.545500 -F 9.969750 7.121250 9.969750 -K 11.394000 8.545500 8.545500 -F 12.818250 9.969750 9.969750 -K 0.000000 5.697000 5.697000 -F 1.424250 7.121250 7.121250 -K 2.848500 8.545500 5.697000 -F 4.272750 9.969750 7.121250 -K 5.697000 11.394000 5.697000 -F 7.121250 12.818250 7.121250 -K 2.848500 5.697000 8.545500 -F 4.272750 7.121250 9.969750 -K 5.697000 8.545500 8.545500 -F 7.121250 9.969750 9.969750 -K 8.545500 11.394000 8.545500 -F 9.969750 12.818250 9.969750 -K 5.697000 5.697000 11.394000 -F 7.121250 7.121250 12.818250 -K 8.545500 8.545500 11.394000 -F 9.969750 9.969750 12.818250 -K 11.394000 11.394000 11.394000 -F 12.818250 12.818250 12.818250 diff --git a/data/compressed_sensing/structures/ZB_structures/FLi.xyz b/data/compressed_sensing/structures/ZB_structures/FLi.xyz deleted file mode 100644 index 760ec31d263f2ee1fa798ea4d224fca4b925f515..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/FLi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -F 1.053000 1.053000 1.053000 -Li 2.106000 2.106000 0.000000 -F 3.159000 3.159000 1.053000 -Li 4.212000 4.212000 0.000000 -F 5.265000 5.265000 1.053000 -Li 2.106000 0.000000 2.106000 -F 3.159000 1.053000 3.159000 -Li 4.212000 2.106000 2.106000 -F 5.265000 3.159000 3.159000 -Li 6.318000 4.212000 2.106000 -F 7.371000 5.265000 3.159000 -Li 4.212000 0.000000 4.212000 -F 5.265000 1.053000 5.265000 -Li 6.318000 2.106000 4.212000 -F 7.371000 3.159000 5.265000 -Li 8.424000 4.212000 4.212000 -F 9.477000 5.265000 5.265000 -Li 0.000000 2.106000 2.106000 -F 1.053000 3.159000 3.159000 -Li 2.106000 4.212000 2.106000 -F 3.159000 5.265000 3.159000 -Li 4.212000 6.318000 2.106000 -F 5.265000 7.371000 3.159000 -Li 2.106000 2.106000 4.212000 -F 3.159000 3.159000 5.265000 -Li 4.212000 4.212000 4.212000 -F 5.265000 5.265000 5.265000 -Li 6.318000 6.318000 4.212000 -F 7.371000 7.371000 5.265000 -Li 4.212000 2.106000 6.318000 -F 5.265000 3.159000 7.371000 -Li 6.318000 4.212000 6.318000 -F 7.371000 5.265000 7.371000 -Li 8.424000 6.318000 6.318000 -F 9.477000 7.371000 7.371000 -Li 0.000000 4.212000 4.212000 -F 1.053000 5.265000 5.265000 -Li 2.106000 6.318000 4.212000 -F 3.159000 7.371000 5.265000 -Li 4.212000 8.424000 4.212000 -F 5.265000 9.477000 5.265000 -Li 2.106000 4.212000 6.318000 -F 3.159000 5.265000 7.371000 -Li 4.212000 6.318000 6.318000 -F 5.265000 7.371000 7.371000 -Li 6.318000 8.424000 6.318000 -F 7.371000 9.477000 7.371000 -Li 4.212000 4.212000 8.424000 -F 5.265000 5.265000 9.477000 -Li 6.318000 6.318000 8.424000 -F 7.371000 7.371000 9.477000 -Li 8.424000 8.424000 8.424000 -F 9.477000 9.477000 9.477000 diff --git a/data/compressed_sensing/structures/ZB_structures/FNa.xyz b/data/compressed_sensing/structures/ZB_structures/FNa.xyz deleted file mode 100644 index aa6e15ffbdf728ce1dac8c04a90aaa172dd6e16a..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/FNa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -F 1.241250 1.241250 1.241250 -Na 2.482500 2.482500 0.000000 -F 3.723750 3.723750 1.241250 -Na 4.965000 4.965000 0.000000 -F 6.206250 6.206250 1.241250 -Na 2.482500 0.000000 2.482500 -F 3.723750 1.241250 3.723750 -Na 4.965000 2.482500 2.482500 -F 6.206250 3.723750 3.723750 -Na 7.447500 4.965000 2.482500 -F 8.688750 6.206250 3.723750 -Na 4.965000 0.000000 4.965000 -F 6.206250 1.241250 6.206250 -Na 7.447500 2.482500 4.965000 -F 8.688750 3.723750 6.206250 -Na 9.930000 4.965000 4.965000 -F 11.171250 6.206250 6.206250 -Na 0.000000 2.482500 2.482500 -F 1.241250 3.723750 3.723750 -Na 2.482500 4.965000 2.482500 -F 3.723750 6.206250 3.723750 -Na 4.965000 7.447500 2.482500 -F 6.206250 8.688750 3.723750 -Na 2.482500 2.482500 4.965000 -F 3.723750 3.723750 6.206250 -Na 4.965000 4.965000 4.965000 -F 6.206250 6.206250 6.206250 -Na 7.447500 7.447500 4.965000 -F 8.688750 8.688750 6.206250 -Na 4.965000 2.482500 7.447500 -F 6.206250 3.723750 8.688750 -Na 7.447500 4.965000 7.447500 -F 8.688750 6.206250 8.688750 -Na 9.930000 7.447500 7.447500 -F 11.171250 8.688750 8.688750 -Na 0.000000 4.965000 4.965000 -F 1.241250 6.206250 6.206250 -Na 2.482500 7.447500 4.965000 -F 3.723750 8.688750 6.206250 -Na 4.965000 9.930000 4.965000 -F 6.206250 11.171250 6.206250 -Na 2.482500 4.965000 7.447500 -F 3.723750 6.206250 8.688750 -Na 4.965000 7.447500 7.447500 -F 6.206250 8.688750 8.688750 -Na 7.447500 9.930000 7.447500 -F 8.688750 11.171250 8.688750 -Na 4.965000 4.965000 9.930000 -F 6.206250 6.206250 11.171250 -Na 7.447500 7.447500 9.930000 -F 8.688750 8.688750 11.171250 -Na 9.930000 9.930000 9.930000 -F 11.171250 11.171250 11.171250 diff --git a/data/compressed_sensing/structures/ZB_structures/FRb.xyz b/data/compressed_sensing/structures/ZB_structures/FRb.xyz deleted file mode 100644 index 2017daa18a546fdb9bcd1ac1b583f412ed151124..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/FRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -F 1.503000 1.503000 1.503000 -Rb 3.006000 3.006000 0.000000 -F 4.509000 4.509000 1.503000 -Rb 6.012000 6.012000 0.000000 -F 7.515000 7.515000 1.503000 -Rb 3.006000 0.000000 3.006000 -F 4.509000 1.503000 4.509000 -Rb 6.012000 3.006000 3.006000 -F 7.515000 4.509000 4.509000 -Rb 9.018000 6.012000 3.006000 -F 10.521000 7.515000 4.509000 -Rb 6.012000 0.000000 6.012000 -F 7.515000 1.503000 7.515000 -Rb 9.018000 3.006000 6.012000 -F 10.521000 4.509000 7.515000 -Rb 12.024000 6.012000 6.012000 -F 13.527000 7.515000 7.515000 -Rb 0.000000 3.006000 3.006000 -F 1.503000 4.509000 4.509000 -Rb 3.006000 6.012000 3.006000 -F 4.509000 7.515000 4.509000 -Rb 6.012000 9.018000 3.006000 -F 7.515000 10.521000 4.509000 -Rb 3.006000 3.006000 6.012000 -F 4.509000 4.509000 7.515000 -Rb 6.012000 6.012000 6.012000 -F 7.515000 7.515000 7.515000 -Rb 9.018000 9.018000 6.012000 -F 10.521000 10.521000 7.515000 -Rb 6.012000 3.006000 9.018000 -F 7.515000 4.509000 10.521000 -Rb 9.018000 6.012000 9.018000 -F 10.521000 7.515000 10.521000 -Rb 12.024000 9.018000 9.018000 -F 13.527000 10.521000 10.521000 -Rb 0.000000 6.012000 6.012000 -F 1.503000 7.515000 7.515000 -Rb 3.006000 9.018000 6.012000 -F 4.509000 10.521000 7.515000 -Rb 6.012000 12.024000 6.012000 -F 7.515000 13.527000 7.515000 -Rb 3.006000 6.012000 9.018000 -F 4.509000 7.515000 10.521000 -Rb 6.012000 9.018000 9.018000 -F 7.515000 10.521000 10.521000 -Rb 9.018000 12.024000 9.018000 -F 10.521000 13.527000 10.521000 -Rb 6.012000 6.012000 12.024000 -F 7.515000 7.515000 13.527000 -Rb 9.018000 9.018000 12.024000 -F 10.521000 10.521000 13.527000 -Rb 12.024000 12.024000 12.024000 -F 13.527000 13.527000 13.527000 diff --git a/data/compressed_sensing/structures/ZB_structures/GaN.xyz b/data/compressed_sensing/structures/ZB_structures/GaN.xyz deleted file mode 100644 index dea7ce5e9842df6e6c638728539d2e401802a0dd..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/GaN.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -N 1.115000 1.115000 1.115000 -Ga 2.230000 2.230000 0.000000 -N 3.345000 3.345000 1.115000 -Ga 4.460000 4.460000 0.000000 -N 5.575000 5.575000 1.115000 -Ga 2.230000 0.000000 2.230000 -N 3.345000 1.115000 3.345000 -Ga 4.460000 2.230000 2.230000 -N 5.575000 3.345000 3.345000 -Ga 6.690000 4.460000 2.230000 -N 7.805000 5.575000 3.345000 -Ga 4.460000 0.000000 4.460000 -N 5.575000 1.115000 5.575000 -Ga 6.690000 2.230000 4.460000 -N 7.805000 3.345000 5.575000 -Ga 8.920000 4.460000 4.460000 -N 10.035000 5.575000 5.575000 -Ga 0.000000 2.230000 2.230000 -N 1.115000 3.345000 3.345000 -Ga 2.230000 4.460000 2.230000 -N 3.345000 5.575000 3.345000 -Ga 4.460000 6.690000 2.230000 -N 5.575000 7.805000 3.345000 -Ga 2.230000 2.230000 4.460000 -N 3.345000 3.345000 5.575000 -Ga 4.460000 4.460000 4.460000 -N 5.575000 5.575000 5.575000 -Ga 6.690000 6.690000 4.460000 -N 7.805000 7.805000 5.575000 -Ga 4.460000 2.230000 6.690000 -N 5.575000 3.345000 7.805000 -Ga 6.690000 4.460000 6.690000 -N 7.805000 5.575000 7.805000 -Ga 8.920000 6.690000 6.690000 -N 10.035000 7.805000 7.805000 -Ga 0.000000 4.460000 4.460000 -N 1.115000 5.575000 5.575000 -Ga 2.230000 6.690000 4.460000 -N 3.345000 7.805000 5.575000 -Ga 4.460000 8.920000 4.460000 -N 5.575000 10.035000 5.575000 -Ga 2.230000 4.460000 6.690000 -N 3.345000 5.575000 7.805000 -Ga 4.460000 6.690000 6.690000 -N 5.575000 7.805000 7.805000 -Ga 6.690000 8.920000 6.690000 -N 7.805000 10.035000 7.805000 -Ga 4.460000 4.460000 8.920000 -N 5.575000 5.575000 10.035000 -Ga 6.690000 6.690000 8.920000 -N 7.805000 7.805000 10.035000 -Ga 8.920000 8.920000 8.920000 -N 10.035000 10.035000 10.035000 diff --git a/data/compressed_sensing/structures/ZB_structures/GaP.xyz b/data/compressed_sensing/structures/ZB_structures/GaP.xyz deleted file mode 100644 index c3ac2a003fa9fdb70ee90428b13497a8ae1e1f08..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/GaP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -P 1.348750 1.348750 1.348750 -Ga 2.697500 2.697500 0.000000 -P 4.046250 4.046250 1.348750 -Ga 5.395000 5.395000 0.000000 -P 6.743750 6.743750 1.348750 -Ga 2.697500 0.000000 2.697500 -P 4.046250 1.348750 4.046250 -Ga 5.395000 2.697500 2.697500 -P 6.743750 4.046250 4.046250 -Ga 8.092500 5.395000 2.697500 -P 9.441250 6.743750 4.046250 -Ga 5.395000 0.000000 5.395000 -P 6.743750 1.348750 6.743750 -Ga 8.092500 2.697500 5.395000 -P 9.441250 4.046250 6.743750 -Ga 10.790000 5.395000 5.395000 -P 12.138750 6.743750 6.743750 -Ga 0.000000 2.697500 2.697500 -P 1.348750 4.046250 4.046250 -Ga 2.697500 5.395000 2.697500 -P 4.046250 6.743750 4.046250 -Ga 5.395000 8.092500 2.697500 -P 6.743750 9.441250 4.046250 -Ga 2.697500 2.697500 5.395000 -P 4.046250 4.046250 6.743750 -Ga 5.395000 5.395000 5.395000 -P 6.743750 6.743750 6.743750 -Ga 8.092500 8.092500 5.395000 -P 9.441250 9.441250 6.743750 -Ga 5.395000 2.697500 8.092500 -P 6.743750 4.046250 9.441250 -Ga 8.092500 5.395000 8.092500 -P 9.441250 6.743750 9.441250 -Ga 10.790000 8.092500 8.092500 -P 12.138750 9.441250 9.441250 -Ga 0.000000 5.395000 5.395000 -P 1.348750 6.743750 6.743750 -Ga 2.697500 8.092500 5.395000 -P 4.046250 9.441250 6.743750 -Ga 5.395000 10.790000 5.395000 -P 6.743750 12.138750 6.743750 -Ga 2.697500 5.395000 8.092500 -P 4.046250 6.743750 9.441250 -Ga 5.395000 8.092500 8.092500 -P 6.743750 9.441250 9.441250 -Ga 8.092500 10.790000 8.092500 -P 9.441250 12.138750 9.441250 -Ga 5.395000 5.395000 10.790000 -P 6.743750 6.743750 12.138750 -Ga 8.092500 8.092500 10.790000 -P 9.441250 9.441250 12.138750 -Ga 10.790000 10.790000 10.790000 -P 12.138750 12.138750 12.138750 diff --git a/data/compressed_sensing/structures/ZB_structures/GaSb.xyz b/data/compressed_sensing/structures/ZB_structures/GaSb.xyz deleted file mode 100644 index 886266c9633b35ff9e1e68ffb5fceb121a3ead36..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/GaSb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ga 0.000000 0.000000 0.000000 -Sb 1.513000 1.513000 1.513000 -Ga 3.026000 3.026000 0.000000 -Sb 4.539000 4.539000 1.513000 -Ga 6.052000 6.052000 0.000000 -Sb 7.565000 7.565000 1.513000 -Ga 3.026000 0.000000 3.026000 -Sb 4.539000 1.513000 4.539000 -Ga 6.052000 3.026000 3.026000 -Sb 7.565000 4.539000 4.539000 -Ga 9.078000 6.052000 3.026000 -Sb 10.591000 7.565000 4.539000 -Ga 6.052000 0.000000 6.052000 -Sb 7.565000 1.513000 7.565000 -Ga 9.078000 3.026000 6.052000 -Sb 10.591000 4.539000 7.565000 -Ga 12.104000 6.052000 6.052000 -Sb 13.617000 7.565000 7.565000 -Ga 0.000000 3.026000 3.026000 -Sb 1.513000 4.539000 4.539000 -Ga 3.026000 6.052000 3.026000 -Sb 4.539000 7.565000 4.539000 -Ga 6.052000 9.078000 3.026000 -Sb 7.565000 10.591000 4.539000 -Ga 3.026000 3.026000 6.052000 -Sb 4.539000 4.539000 7.565000 -Ga 6.052000 6.052000 6.052000 -Sb 7.565000 7.565000 7.565000 -Ga 9.078000 9.078000 6.052000 -Sb 10.591000 10.591000 7.565000 -Ga 6.052000 3.026000 9.078000 -Sb 7.565000 4.539000 10.591000 -Ga 9.078000 6.052000 9.078000 -Sb 10.591000 7.565000 10.591000 -Ga 12.104000 9.078000 9.078000 -Sb 13.617000 10.591000 10.591000 -Ga 0.000000 6.052000 6.052000 -Sb 1.513000 7.565000 7.565000 -Ga 3.026000 9.078000 6.052000 -Sb 4.539000 10.591000 7.565000 -Ga 6.052000 12.104000 6.052000 -Sb 7.565000 13.617000 7.565000 -Ga 3.026000 6.052000 9.078000 -Sb 4.539000 7.565000 10.591000 -Ga 6.052000 9.078000 9.078000 -Sb 7.565000 10.591000 10.591000 -Ga 9.078000 12.104000 9.078000 -Sb 10.591000 13.617000 10.591000 -Ga 6.052000 6.052000 12.104000 -Sb 7.565000 7.565000 13.617000 -Ga 9.078000 9.078000 12.104000 -Sb 10.591000 10.591000 13.617000 -Ga 12.104000 12.104000 12.104000 -Sb 13.617000 13.617000 13.617000 diff --git a/data/compressed_sensing/structures/ZB_structures/Ge2.xyz b/data/compressed_sensing/structures/ZB_structures/Ge2.xyz deleted file mode 100644 index a81d9862256b1fc3c3ea0286225838e140ef00fa..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/Ge2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ge 0.000000 0.000000 0.000000 -Ge 1.406500 1.406500 1.406500 -Ge 2.813000 2.813000 0.000000 -Ge 4.219500 4.219500 1.406500 -Ge 5.626000 5.626000 0.000000 -Ge 7.032500 7.032500 1.406500 -Ge 2.813000 0.000000 2.813000 -Ge 4.219500 1.406500 4.219500 -Ge 5.626000 2.813000 2.813000 -Ge 7.032500 4.219500 4.219500 -Ge 8.439000 5.626000 2.813000 -Ge 9.845500 7.032500 4.219500 -Ge 5.626000 0.000000 5.626000 -Ge 7.032500 1.406500 7.032500 -Ge 8.439000 2.813000 5.626000 -Ge 9.845500 4.219500 7.032500 -Ge 11.252000 5.626000 5.626000 -Ge 12.658500 7.032500 7.032500 -Ge 0.000000 2.813000 2.813000 -Ge 1.406500 4.219500 4.219500 -Ge 2.813000 5.626000 2.813000 -Ge 4.219500 7.032500 4.219500 -Ge 5.626000 8.439000 2.813000 -Ge 7.032500 9.845500 4.219500 -Ge 2.813000 2.813000 5.626000 -Ge 4.219500 4.219500 7.032500 -Ge 5.626000 5.626000 5.626000 -Ge 7.032500 7.032500 7.032500 -Ge 8.439000 8.439000 5.626000 -Ge 9.845500 9.845500 7.032500 -Ge 5.626000 2.813000 8.439000 -Ge 7.032500 4.219500 9.845500 -Ge 8.439000 5.626000 8.439000 -Ge 9.845500 7.032500 9.845500 -Ge 11.252000 8.439000 8.439000 -Ge 12.658500 9.845500 9.845500 -Ge 0.000000 5.626000 5.626000 -Ge 1.406500 7.032500 7.032500 -Ge 2.813000 8.439000 5.626000 -Ge 4.219500 9.845500 7.032500 -Ge 5.626000 11.252000 5.626000 -Ge 7.032500 12.658500 7.032500 -Ge 2.813000 5.626000 8.439000 -Ge 4.219500 7.032500 9.845500 -Ge 5.626000 8.439000 8.439000 -Ge 7.032500 9.845500 9.845500 -Ge 8.439000 11.252000 8.439000 -Ge 9.845500 12.658500 9.845500 -Ge 5.626000 5.626000 11.252000 -Ge 7.032500 7.032500 12.658500 -Ge 8.439000 8.439000 11.252000 -Ge 9.845500 9.845500 12.658500 -Ge 11.252000 11.252000 11.252000 -Ge 12.658500 12.658500 12.658500 diff --git a/data/compressed_sensing/structures/ZB_structures/GeSi.xyz b/data/compressed_sensing/structures/ZB_structures/GeSi.xyz deleted file mode 100644 index cf803910c2dc5d483a98704653d0e3fbc35d9c1d..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/GeSi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Ge 0.000000 0.000000 0.000000 -Si 1.375250 1.375250 1.375250 -Ge 2.750500 2.750500 0.000000 -Si 4.125750 4.125750 1.375250 -Ge 5.501000 5.501000 0.000000 -Si 6.876250 6.876250 1.375250 -Ge 2.750500 0.000000 2.750500 -Si 4.125750 1.375250 4.125750 -Ge 5.501000 2.750500 2.750500 -Si 6.876250 4.125750 4.125750 -Ge 8.251500 5.501000 2.750500 -Si 9.626750 6.876250 4.125750 -Ge 5.501000 0.000000 5.501000 -Si 6.876250 1.375250 6.876250 -Ge 8.251500 2.750500 5.501000 -Si 9.626750 4.125750 6.876250 -Ge 11.002000 5.501000 5.501000 -Si 12.377250 6.876250 6.876250 -Ge 0.000000 2.750500 2.750500 -Si 1.375250 4.125750 4.125750 -Ge 2.750500 5.501000 2.750500 -Si 4.125750 6.876250 4.125750 -Ge 5.501000 8.251500 2.750500 -Si 6.876250 9.626750 4.125750 -Ge 2.750500 2.750500 5.501000 -Si 4.125750 4.125750 6.876250 -Ge 5.501000 5.501000 5.501000 -Si 6.876250 6.876250 6.876250 -Ge 8.251500 8.251500 5.501000 -Si 9.626750 9.626750 6.876250 -Ge 5.501000 2.750500 8.251500 -Si 6.876250 4.125750 9.626750 -Ge 8.251500 5.501000 8.251500 -Si 9.626750 6.876250 9.626750 -Ge 11.002000 8.251500 8.251500 -Si 12.377250 9.626750 9.626750 -Ge 0.000000 5.501000 5.501000 -Si 1.375250 6.876250 6.876250 -Ge 2.750500 8.251500 5.501000 -Si 4.125750 9.626750 6.876250 -Ge 5.501000 11.002000 5.501000 -Si 6.876250 12.377250 6.876250 -Ge 2.750500 5.501000 8.251500 -Si 4.125750 6.876250 9.626750 -Ge 5.501000 8.251500 8.251500 -Si 6.876250 9.626750 9.626750 -Ge 8.251500 11.002000 8.251500 -Si 9.626750 12.377250 9.626750 -Ge 5.501000 5.501000 11.002000 -Si 6.876250 6.876250 12.377250 -Ge 8.251500 8.251500 11.002000 -Si 9.626750 9.626750 12.377250 -Ge 11.002000 11.002000 11.002000 -Si 12.377250 12.377250 12.377250 diff --git a/data/compressed_sensing/structures/ZB_structures/GeSn.xyz b/data/compressed_sensing/structures/ZB_structures/GeSn.xyz deleted file mode 100644 index 50ba960d8a84275b76384194220ecbf64733e8b7..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/GeSn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -Ge 1.515000 1.515000 1.515000 -Sn 3.030000 3.030000 0.000000 -Ge 4.545000 4.545000 1.515000 -Sn 6.060000 6.060000 0.000000 -Ge 7.575000 7.575000 1.515000 -Sn 3.030000 0.000000 3.030000 -Ge 4.545000 1.515000 4.545000 -Sn 6.060000 3.030000 3.030000 -Ge 7.575000 4.545000 4.545000 -Sn 9.090000 6.060000 3.030000 -Ge 10.605000 7.575000 4.545000 -Sn 6.060000 0.000000 6.060000 -Ge 7.575000 1.515000 7.575000 -Sn 9.090000 3.030000 6.060000 -Ge 10.605000 4.545000 7.575000 -Sn 12.120000 6.060000 6.060000 -Ge 13.635000 7.575000 7.575000 -Sn 0.000000 3.030000 3.030000 -Ge 1.515000 4.545000 4.545000 -Sn 3.030000 6.060000 3.030000 -Ge 4.545000 7.575000 4.545000 -Sn 6.060000 9.090000 3.030000 -Ge 7.575000 10.605000 4.545000 -Sn 3.030000 3.030000 6.060000 -Ge 4.545000 4.545000 7.575000 -Sn 6.060000 6.060000 6.060000 -Ge 7.575000 7.575000 7.575000 -Sn 9.090000 9.090000 6.060000 -Ge 10.605000 10.605000 7.575000 -Sn 6.060000 3.030000 9.090000 -Ge 7.575000 4.545000 10.605000 -Sn 9.090000 6.060000 9.090000 -Ge 10.605000 7.575000 10.605000 -Sn 12.120000 9.090000 9.090000 -Ge 13.635000 10.605000 10.605000 -Sn 0.000000 6.060000 6.060000 -Ge 1.515000 7.575000 7.575000 -Sn 3.030000 9.090000 6.060000 -Ge 4.545000 10.605000 7.575000 -Sn 6.060000 12.120000 6.060000 -Ge 7.575000 13.635000 7.575000 -Sn 3.030000 6.060000 9.090000 -Ge 4.545000 7.575000 10.605000 -Sn 6.060000 9.090000 9.090000 -Ge 7.575000 10.605000 10.605000 -Sn 9.090000 12.120000 9.090000 -Ge 10.605000 13.635000 10.605000 -Sn 6.060000 6.060000 12.120000 -Ge 7.575000 7.575000 13.635000 -Sn 9.090000 9.090000 12.120000 -Ge 10.605000 10.605000 13.635000 -Sn 12.120000 12.120000 12.120000 -Ge 13.635000 13.635000 13.635000 diff --git a/data/compressed_sensing/structures/ZB_structures/IK.xyz b/data/compressed_sensing/structures/ZB_structures/IK.xyz deleted file mode 100644 index 1d2dcc383300a6ef7b73f80a637bc15e81b0fd55..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/IK.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -K 0.000000 0.000000 0.000000 -I 1.911500 1.911500 1.911500 -K 3.823000 3.823000 0.000000 -I 5.734500 5.734500 1.911500 -K 7.646000 7.646000 0.000000 -I 9.557500 9.557500 1.911500 -K 3.823000 0.000000 3.823000 -I 5.734500 1.911500 5.734500 -K 7.646000 3.823000 3.823000 -I 9.557500 5.734500 5.734500 -K 11.469000 7.646000 3.823000 -I 13.380500 9.557500 5.734500 -K 7.646000 0.000000 7.646000 -I 9.557500 1.911500 9.557500 -K 11.469000 3.823000 7.646000 -I 13.380500 5.734500 9.557500 -K 15.292000 7.646000 7.646000 -I 17.203500 9.557500 9.557500 -K 0.000000 3.823000 3.823000 -I 1.911500 5.734500 5.734500 -K 3.823000 7.646000 3.823000 -I 5.734500 9.557500 5.734500 -K 7.646000 11.469000 3.823000 -I 9.557500 13.380500 5.734500 -K 3.823000 3.823000 7.646000 -I 5.734500 5.734500 9.557500 -K 7.646000 7.646000 7.646000 -I 9.557500 9.557500 9.557500 -K 11.469000 11.469000 7.646000 -I 13.380500 13.380500 9.557500 -K 7.646000 3.823000 11.469000 -I 9.557500 5.734500 13.380500 -K 11.469000 7.646000 11.469000 -I 13.380500 9.557500 13.380500 -K 15.292000 11.469000 11.469000 -I 17.203500 13.380500 13.380500 -K 0.000000 7.646000 7.646000 -I 1.911500 9.557500 9.557500 -K 3.823000 11.469000 7.646000 -I 5.734500 13.380500 9.557500 -K 7.646000 15.292000 7.646000 -I 9.557500 17.203500 9.557500 -K 3.823000 7.646000 11.469000 -I 5.734500 9.557500 13.380500 -K 7.646000 11.469000 11.469000 -I 9.557500 13.380500 13.380500 -K 11.469000 15.292000 11.469000 -I 13.380500 17.203500 13.380500 -K 7.646000 7.646000 15.292000 -I 9.557500 9.557500 17.203500 -K 11.469000 11.469000 15.292000 -I 13.380500 13.380500 17.203500 -K 15.292000 15.292000 15.292000 -I 17.203500 17.203500 17.203500 diff --git a/data/compressed_sensing/structures/ZB_structures/ILi.xyz b/data/compressed_sensing/structures/ZB_structures/ILi.xyz deleted file mode 100644 index f7a5542d20db912831ae467575967a0f4d11ad44..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/ILi.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Li 0.000000 0.000000 0.000000 -I 1.552250 1.552250 1.552250 -Li 3.104500 3.104500 0.000000 -I 4.656750 4.656750 1.552250 -Li 6.209000 6.209000 0.000000 -I 7.761250 7.761250 1.552250 -Li 3.104500 0.000000 3.104500 -I 4.656750 1.552250 4.656750 -Li 6.209000 3.104500 3.104500 -I 7.761250 4.656750 4.656750 -Li 9.313500 6.209000 3.104500 -I 10.865750 7.761250 4.656750 -Li 6.209000 0.000000 6.209000 -I 7.761250 1.552250 7.761250 -Li 9.313500 3.104500 6.209000 -I 10.865750 4.656750 7.761250 -Li 12.418000 6.209000 6.209000 -I 13.970250 7.761250 7.761250 -Li 0.000000 3.104500 3.104500 -I 1.552250 4.656750 4.656750 -Li 3.104500 6.209000 3.104500 -I 4.656750 7.761250 4.656750 -Li 6.209000 9.313500 3.104500 -I 7.761250 10.865750 4.656750 -Li 3.104500 3.104500 6.209000 -I 4.656750 4.656750 7.761250 -Li 6.209000 6.209000 6.209000 -I 7.761250 7.761250 7.761250 -Li 9.313500 9.313500 6.209000 -I 10.865750 10.865750 7.761250 -Li 6.209000 3.104500 9.313500 -I 7.761250 4.656750 10.865750 -Li 9.313500 6.209000 9.313500 -I 10.865750 7.761250 10.865750 -Li 12.418000 9.313500 9.313500 -I 13.970250 10.865750 10.865750 -Li 0.000000 6.209000 6.209000 -I 1.552250 7.761250 7.761250 -Li 3.104500 9.313500 6.209000 -I 4.656750 10.865750 7.761250 -Li 6.209000 12.418000 6.209000 -I 7.761250 13.970250 7.761250 -Li 3.104500 6.209000 9.313500 -I 4.656750 7.761250 10.865750 -Li 6.209000 9.313500 9.313500 -I 7.761250 10.865750 10.865750 -Li 9.313500 12.418000 9.313500 -I 10.865750 13.970250 10.865750 -Li 6.209000 6.209000 12.418000 -I 7.761250 7.761250 13.970250 -Li 9.313500 9.313500 12.418000 -I 10.865750 10.865750 13.970250 -Li 12.418000 12.418000 12.418000 -I 13.970250 13.970250 13.970250 diff --git a/data/compressed_sensing/structures/ZB_structures/INa.xyz b/data/compressed_sensing/structures/ZB_structures/INa.xyz deleted file mode 100644 index d4e6addc03d37909a7b345d32f352350d5c4b279..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/INa.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Na 0.000000 0.000000 0.000000 -I 1.723000 1.723000 1.723000 -Na 3.446000 3.446000 0.000000 -I 5.169000 5.169000 1.723000 -Na 6.892000 6.892000 0.000000 -I 8.615000 8.615000 1.723000 -Na 3.446000 0.000000 3.446000 -I 5.169000 1.723000 5.169000 -Na 6.892000 3.446000 3.446000 -I 8.615000 5.169000 5.169000 -Na 10.338000 6.892000 3.446000 -I 12.061000 8.615000 5.169000 -Na 6.892000 0.000000 6.892000 -I 8.615000 1.723000 8.615000 -Na 10.338000 3.446000 6.892000 -I 12.061000 5.169000 8.615000 -Na 13.784000 6.892000 6.892000 -I 15.507000 8.615000 8.615000 -Na 0.000000 3.446000 3.446000 -I 1.723000 5.169000 5.169000 -Na 3.446000 6.892000 3.446000 -I 5.169000 8.615000 5.169000 -Na 6.892000 10.338000 3.446000 -I 8.615000 12.061000 5.169000 -Na 3.446000 3.446000 6.892000 -I 5.169000 5.169000 8.615000 -Na 6.892000 6.892000 6.892000 -I 8.615000 8.615000 8.615000 -Na 10.338000 10.338000 6.892000 -I 12.061000 12.061000 8.615000 -Na 6.892000 3.446000 10.338000 -I 8.615000 5.169000 12.061000 -Na 10.338000 6.892000 10.338000 -I 12.061000 8.615000 12.061000 -Na 13.784000 10.338000 10.338000 -I 15.507000 12.061000 12.061000 -Na 0.000000 6.892000 6.892000 -I 1.723000 8.615000 8.615000 -Na 3.446000 10.338000 6.892000 -I 5.169000 12.061000 8.615000 -Na 6.892000 13.784000 6.892000 -I 8.615000 15.507000 8.615000 -Na 3.446000 6.892000 10.338000 -I 5.169000 8.615000 12.061000 -Na 6.892000 10.338000 10.338000 -I 8.615000 12.061000 12.061000 -Na 10.338000 13.784000 10.338000 -I 12.061000 15.507000 12.061000 -Na 6.892000 6.892000 13.784000 -I 8.615000 8.615000 15.507000 -Na 10.338000 10.338000 13.784000 -I 12.061000 12.061000 15.507000 -Na 13.784000 13.784000 13.784000 -I 15.507000 15.507000 15.507000 diff --git a/data/compressed_sensing/structures/ZB_structures/IRb.xyz b/data/compressed_sensing/structures/ZB_structures/IRb.xyz deleted file mode 100644 index d40630c97ab1242ecb69a9557540b02d029a156f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/IRb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Rb 0.000000 0.000000 0.000000 -I 1.994250 1.994250 1.994250 -Rb 3.988500 3.988500 0.000000 -I 5.982750 5.982750 1.994250 -Rb 7.977000 7.977000 0.000000 -I 9.971250 9.971250 1.994250 -Rb 3.988500 0.000000 3.988500 -I 5.982750 1.994250 5.982750 -Rb 7.977000 3.988500 3.988500 -I 9.971250 5.982750 5.982750 -Rb 11.965500 7.977000 3.988500 -I 13.959750 9.971250 5.982750 -Rb 7.977000 0.000000 7.977000 -I 9.971250 1.994250 9.971250 -Rb 11.965500 3.988500 7.977000 -I 13.959750 5.982750 9.971250 -Rb 15.954000 7.977000 7.977000 -I 17.948250 9.971250 9.971250 -Rb 0.000000 3.988500 3.988500 -I 1.994250 5.982750 5.982750 -Rb 3.988500 7.977000 3.988500 -I 5.982750 9.971250 5.982750 -Rb 7.977000 11.965500 3.988500 -I 9.971250 13.959750 5.982750 -Rb 3.988500 3.988500 7.977000 -I 5.982750 5.982750 9.971250 -Rb 7.977000 7.977000 7.977000 -I 9.971250 9.971250 9.971250 -Rb 11.965500 11.965500 7.977000 -I 13.959750 13.959750 9.971250 -Rb 7.977000 3.988500 11.965500 -I 9.971250 5.982750 13.959750 -Rb 11.965500 7.977000 11.965500 -I 13.959750 9.971250 13.959750 -Rb 15.954000 11.965500 11.965500 -I 17.948250 13.959750 13.959750 -Rb 0.000000 7.977000 7.977000 -I 1.994250 9.971250 9.971250 -Rb 3.988500 11.965500 7.977000 -I 5.982750 13.959750 9.971250 -Rb 7.977000 15.954000 7.977000 -I 9.971250 17.948250 9.971250 -Rb 3.988500 7.977000 11.965500 -I 5.982750 9.971250 13.959750 -Rb 7.977000 11.965500 11.965500 -I 9.971250 13.959750 13.959750 -Rb 11.965500 15.954000 11.965500 -I 13.959750 17.948250 13.959750 -Rb 7.977000 7.977000 15.954000 -I 9.971250 9.971250 17.948250 -Rb 11.965500 11.965500 15.954000 -I 13.959750 13.959750 17.948250 -Rb 15.954000 15.954000 15.954000 -I 17.948250 17.948250 17.948250 diff --git a/data/compressed_sensing/structures/ZB_structures/InN.xyz b/data/compressed_sensing/structures/ZB_structures/InN.xyz deleted file mode 100644 index d0a06b98d6061db0f4ce1f5b01c9340dfbea4c67..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/InN.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -In 0.000000 0.000000 0.000000 -N 1.235750 1.235750 1.235750 -In 2.471500 2.471500 0.000000 -N 3.707250 3.707250 1.235750 -In 4.943000 4.943000 0.000000 -N 6.178750 6.178750 1.235750 -In 2.471500 0.000000 2.471500 -N 3.707250 1.235750 3.707250 -In 4.943000 2.471500 2.471500 -N 6.178750 3.707250 3.707250 -In 7.414500 4.943000 2.471500 -N 8.650250 6.178750 3.707250 -In 4.943000 0.000000 4.943000 -N 6.178750 1.235750 6.178750 -In 7.414500 2.471500 4.943000 -N 8.650250 3.707250 6.178750 -In 9.886000 4.943000 4.943000 -N 11.121750 6.178750 6.178750 -In 0.000000 2.471500 2.471500 -N 1.235750 3.707250 3.707250 -In 2.471500 4.943000 2.471500 -N 3.707250 6.178750 3.707250 -In 4.943000 7.414500 2.471500 -N 6.178750 8.650250 3.707250 -In 2.471500 2.471500 4.943000 -N 3.707250 3.707250 6.178750 -In 4.943000 4.943000 4.943000 -N 6.178750 6.178750 6.178750 -In 7.414500 7.414500 4.943000 -N 8.650250 8.650250 6.178750 -In 4.943000 2.471500 7.414500 -N 6.178750 3.707250 8.650250 -In 7.414500 4.943000 7.414500 -N 8.650250 6.178750 8.650250 -In 9.886000 7.414500 7.414500 -N 11.121750 8.650250 8.650250 -In 0.000000 4.943000 4.943000 -N 1.235750 6.178750 6.178750 -In 2.471500 7.414500 4.943000 -N 3.707250 8.650250 6.178750 -In 4.943000 9.886000 4.943000 -N 6.178750 11.121750 6.178750 -In 2.471500 4.943000 7.414500 -N 3.707250 6.178750 8.650250 -In 4.943000 7.414500 7.414500 -N 6.178750 8.650250 8.650250 -In 7.414500 9.886000 7.414500 -N 8.650250 11.121750 8.650250 -In 4.943000 4.943000 9.886000 -N 6.178750 6.178750 11.121750 -In 7.414500 7.414500 9.886000 -N 8.650250 8.650250 11.121750 -In 9.886000 9.886000 9.886000 -N 11.121750 11.121750 11.121750 diff --git a/data/compressed_sensing/structures/ZB_structures/InP.xyz b/data/compressed_sensing/structures/ZB_structures/InP.xyz deleted file mode 100644 index d5bb88a99e1b040b9f0cc4d1eb48f85469c9998f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/InP.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -In 0.000000 0.000000 0.000000 -P 1.457500 1.457500 1.457500 -In 2.915000 2.915000 0.000000 -P 4.372500 4.372500 1.457500 -In 5.830000 5.830000 0.000000 -P 7.287500 7.287500 1.457500 -In 2.915000 0.000000 2.915000 -P 4.372500 1.457500 4.372500 -In 5.830000 2.915000 2.915000 -P 7.287500 4.372500 4.372500 -In 8.745000 5.830000 2.915000 -P 10.202500 7.287500 4.372500 -In 5.830000 0.000000 5.830000 -P 7.287500 1.457500 7.287500 -In 8.745000 2.915000 5.830000 -P 10.202500 4.372500 7.287500 -In 11.660000 5.830000 5.830000 -P 13.117500 7.287500 7.287500 -In 0.000000 2.915000 2.915000 -P 1.457500 4.372500 4.372500 -In 2.915000 5.830000 2.915000 -P 4.372500 7.287500 4.372500 -In 5.830000 8.745000 2.915000 -P 7.287500 10.202500 4.372500 -In 2.915000 2.915000 5.830000 -P 4.372500 4.372500 7.287500 -In 5.830000 5.830000 5.830000 -P 7.287500 7.287500 7.287500 -In 8.745000 8.745000 5.830000 -P 10.202500 10.202500 7.287500 -In 5.830000 2.915000 8.745000 -P 7.287500 4.372500 10.202500 -In 8.745000 5.830000 8.745000 -P 10.202500 7.287500 10.202500 -In 11.660000 8.745000 8.745000 -P 13.117500 10.202500 10.202500 -In 0.000000 5.830000 5.830000 -P 1.457500 7.287500 7.287500 -In 2.915000 8.745000 5.830000 -P 4.372500 10.202500 7.287500 -In 5.830000 11.660000 5.830000 -P 7.287500 13.117500 7.287500 -In 2.915000 5.830000 8.745000 -P 4.372500 7.287500 10.202500 -In 5.830000 8.745000 8.745000 -P 7.287500 10.202500 10.202500 -In 8.745000 11.660000 8.745000 -P 10.202500 13.117500 10.202500 -In 5.830000 5.830000 11.660000 -P 7.287500 7.287500 13.117500 -In 8.745000 8.745000 11.660000 -P 10.202500 10.202500 13.117500 -In 11.660000 11.660000 11.660000 -P 13.117500 13.117500 13.117500 diff --git a/data/compressed_sensing/structures/ZB_structures/InSb.xyz b/data/compressed_sensing/structures/ZB_structures/InSb.xyz deleted file mode 100644 index 33a540208697ffec7569ea1d0a34e974d50de2f8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/InSb.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -In 0.000000 0.000000 0.000000 -Sb 1.613500 1.613500 1.613500 -In 3.227000 3.227000 0.000000 -Sb 4.840500 4.840500 1.613500 -In 6.454000 6.454000 0.000000 -Sb 8.067500 8.067500 1.613500 -In 3.227000 0.000000 3.227000 -Sb 4.840500 1.613500 4.840500 -In 6.454000 3.227000 3.227000 -Sb 8.067500 4.840500 4.840500 -In 9.681000 6.454000 3.227000 -Sb 11.294500 8.067500 4.840500 -In 6.454000 0.000000 6.454000 -Sb 8.067500 1.613500 8.067500 -In 9.681000 3.227000 6.454000 -Sb 11.294500 4.840500 8.067500 -In 12.908000 6.454000 6.454000 -Sb 14.521500 8.067500 8.067500 -In 0.000000 3.227000 3.227000 -Sb 1.613500 4.840500 4.840500 -In 3.227000 6.454000 3.227000 -Sb 4.840500 8.067500 4.840500 -In 6.454000 9.681000 3.227000 -Sb 8.067500 11.294500 4.840500 -In 3.227000 3.227000 6.454000 -Sb 4.840500 4.840500 8.067500 -In 6.454000 6.454000 6.454000 -Sb 8.067500 8.067500 8.067500 -In 9.681000 9.681000 6.454000 -Sb 11.294500 11.294500 8.067500 -In 6.454000 3.227000 9.681000 -Sb 8.067500 4.840500 11.294500 -In 9.681000 6.454000 9.681000 -Sb 11.294500 8.067500 11.294500 -In 12.908000 9.681000 9.681000 -Sb 14.521500 11.294500 11.294500 -In 0.000000 6.454000 6.454000 -Sb 1.613500 8.067500 8.067500 -In 3.227000 9.681000 6.454000 -Sb 4.840500 11.294500 8.067500 -In 6.454000 12.908000 6.454000 -Sb 8.067500 14.521500 8.067500 -In 3.227000 6.454000 9.681000 -Sb 4.840500 8.067500 11.294500 -In 6.454000 9.681000 9.681000 -Sb 8.067500 11.294500 11.294500 -In 9.681000 12.908000 9.681000 -Sb 11.294500 14.521500 11.294500 -In 6.454000 6.454000 12.908000 -Sb 8.067500 8.067500 14.521500 -In 9.681000 9.681000 12.908000 -Sb 11.294500 11.294500 14.521500 -In 12.908000 12.908000 12.908000 -Sb 14.521500 14.521500 14.521500 diff --git a/data/compressed_sensing/structures/ZB_structures/MgO.xyz b/data/compressed_sensing/structures/ZB_structures/MgO.xyz deleted file mode 100644 index 15b351f0d8436f2ab932a9d2f5f4567b1cc16698..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/MgO.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -O 1.129750 1.129750 1.129750 -Mg 2.259500 2.259500 0.000000 -O 3.389250 3.389250 1.129750 -Mg 4.519000 4.519000 0.000000 -O 5.648750 5.648750 1.129750 -Mg 2.259500 0.000000 2.259500 -O 3.389250 1.129750 3.389250 -Mg 4.519000 2.259500 2.259500 -O 5.648750 3.389250 3.389250 -Mg 6.778500 4.519000 2.259500 -O 7.908250 5.648750 3.389250 -Mg 4.519000 0.000000 4.519000 -O 5.648750 1.129750 5.648750 -Mg 6.778500 2.259500 4.519000 -O 7.908250 3.389250 5.648750 -Mg 9.038000 4.519000 4.519000 -O 10.167750 5.648750 5.648750 -Mg 0.000000 2.259500 2.259500 -O 1.129750 3.389250 3.389250 -Mg 2.259500 4.519000 2.259500 -O 3.389250 5.648750 3.389250 -Mg 4.519000 6.778500 2.259500 -O 5.648750 7.908250 3.389250 -Mg 2.259500 2.259500 4.519000 -O 3.389250 3.389250 5.648750 -Mg 4.519000 4.519000 4.519000 -O 5.648750 5.648750 5.648750 -Mg 6.778500 6.778500 4.519000 -O 7.908250 7.908250 5.648750 -Mg 4.519000 2.259500 6.778500 -O 5.648750 3.389250 7.908250 -Mg 6.778500 4.519000 6.778500 -O 7.908250 5.648750 7.908250 -Mg 9.038000 6.778500 6.778500 -O 10.167750 7.908250 7.908250 -Mg 0.000000 4.519000 4.519000 -O 1.129750 5.648750 5.648750 -Mg 2.259500 6.778500 4.519000 -O 3.389250 7.908250 5.648750 -Mg 4.519000 9.038000 4.519000 -O 5.648750 10.167750 5.648750 -Mg 2.259500 4.519000 6.778500 -O 3.389250 5.648750 7.908250 -Mg 4.519000 6.778500 6.778500 -O 5.648750 7.908250 7.908250 -Mg 6.778500 9.038000 6.778500 -O 7.908250 10.167750 7.908250 -Mg 4.519000 4.519000 9.038000 -O 5.648750 5.648750 10.167750 -Mg 6.778500 6.778500 9.038000 -O 7.908250 7.908250 10.167750 -Mg 9.038000 9.038000 9.038000 -O 10.167750 10.167750 10.167750 diff --git a/data/compressed_sensing/structures/ZB_structures/MgS.xyz b/data/compressed_sensing/structures/ZB_structures/MgS.xyz deleted file mode 100644 index 2c2c702a5f16516be6b7325377d3fad171deb65d..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/MgS.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -S 1.399500 1.399500 1.399500 -Mg 2.799000 2.799000 0.000000 -S 4.198500 4.198500 1.399500 -Mg 5.598000 5.598000 0.000000 -S 6.997500 6.997500 1.399500 -Mg 2.799000 0.000000 2.799000 -S 4.198500 1.399500 4.198500 -Mg 5.598000 2.799000 2.799000 -S 6.997500 4.198500 4.198500 -Mg 8.397000 5.598000 2.799000 -S 9.796500 6.997500 4.198500 -Mg 5.598000 0.000000 5.598000 -S 6.997500 1.399500 6.997500 -Mg 8.397000 2.799000 5.598000 -S 9.796500 4.198500 6.997500 -Mg 11.196000 5.598000 5.598000 -S 12.595500 6.997500 6.997500 -Mg 0.000000 2.799000 2.799000 -S 1.399500 4.198500 4.198500 -Mg 2.799000 5.598000 2.799000 -S 4.198500 6.997500 4.198500 -Mg 5.598000 8.397000 2.799000 -S 6.997500 9.796500 4.198500 -Mg 2.799000 2.799000 5.598000 -S 4.198500 4.198500 6.997500 -Mg 5.598000 5.598000 5.598000 -S 6.997500 6.997500 6.997500 -Mg 8.397000 8.397000 5.598000 -S 9.796500 9.796500 6.997500 -Mg 5.598000 2.799000 8.397000 -S 6.997500 4.198500 9.796500 -Mg 8.397000 5.598000 8.397000 -S 9.796500 6.997500 9.796500 -Mg 11.196000 8.397000 8.397000 -S 12.595500 9.796500 9.796500 -Mg 0.000000 5.598000 5.598000 -S 1.399500 6.997500 6.997500 -Mg 2.799000 8.397000 5.598000 -S 4.198500 9.796500 6.997500 -Mg 5.598000 11.196000 5.598000 -S 6.997500 12.595500 6.997500 -Mg 2.799000 5.598000 8.397000 -S 4.198500 6.997500 9.796500 -Mg 5.598000 8.397000 8.397000 -S 6.997500 9.796500 9.796500 -Mg 8.397000 11.196000 8.397000 -S 9.796500 12.595500 9.796500 -Mg 5.598000 5.598000 11.196000 -S 6.997500 6.997500 12.595500 -Mg 8.397000 8.397000 11.196000 -S 9.796500 9.796500 12.595500 -Mg 11.196000 11.196000 11.196000 -S 12.595500 12.595500 12.595500 diff --git a/data/compressed_sensing/structures/ZB_structures/MgSe.xyz b/data/compressed_sensing/structures/ZB_structures/MgSe.xyz deleted file mode 100644 index 5956260461b89f00fecf2840e07c31af78f0a7c6..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/MgSe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -Se 1.469000 1.469000 1.469000 -Mg 2.938000 2.938000 0.000000 -Se 4.407000 4.407000 1.469000 -Mg 5.876000 5.876000 0.000000 -Se 7.345000 7.345000 1.469000 -Mg 2.938000 0.000000 2.938000 -Se 4.407000 1.469000 4.407000 -Mg 5.876000 2.938000 2.938000 -Se 7.345000 4.407000 4.407000 -Mg 8.814000 5.876000 2.938000 -Se 10.283000 7.345000 4.407000 -Mg 5.876000 0.000000 5.876000 -Se 7.345000 1.469000 7.345000 -Mg 8.814000 2.938000 5.876000 -Se 10.283000 4.407000 7.345000 -Mg 11.752000 5.876000 5.876000 -Se 13.221000 7.345000 7.345000 -Mg 0.000000 2.938000 2.938000 -Se 1.469000 4.407000 4.407000 -Mg 2.938000 5.876000 2.938000 -Se 4.407000 7.345000 4.407000 -Mg 5.876000 8.814000 2.938000 -Se 7.345000 10.283000 4.407000 -Mg 2.938000 2.938000 5.876000 -Se 4.407000 4.407000 7.345000 -Mg 5.876000 5.876000 5.876000 -Se 7.345000 7.345000 7.345000 -Mg 8.814000 8.814000 5.876000 -Se 10.283000 10.283000 7.345000 -Mg 5.876000 2.938000 8.814000 -Se 7.345000 4.407000 10.283000 -Mg 8.814000 5.876000 8.814000 -Se 10.283000 7.345000 10.283000 -Mg 11.752000 8.814000 8.814000 -Se 13.221000 10.283000 10.283000 -Mg 0.000000 5.876000 5.876000 -Se 1.469000 7.345000 7.345000 -Mg 2.938000 8.814000 5.876000 -Se 4.407000 10.283000 7.345000 -Mg 5.876000 11.752000 5.876000 -Se 7.345000 13.221000 7.345000 -Mg 2.938000 5.876000 8.814000 -Se 4.407000 7.345000 10.283000 -Mg 5.876000 8.814000 8.814000 -Se 7.345000 10.283000 10.283000 -Mg 8.814000 11.752000 8.814000 -Se 10.283000 13.221000 10.283000 -Mg 5.876000 5.876000 11.752000 -Se 7.345000 7.345000 13.221000 -Mg 8.814000 8.814000 11.752000 -Se 10.283000 10.283000 13.221000 -Mg 11.752000 11.752000 11.752000 -Se 13.221000 13.221000 13.221000 diff --git a/data/compressed_sensing/structures/ZB_structures/MgTe.xyz b/data/compressed_sensing/structures/ZB_structures/MgTe.xyz deleted file mode 100644 index e32cb15b150b9a547e88ef3fa83d6365dbfaa76a..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/MgTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Mg 0.000000 0.000000 0.000000 -Te 1.593000 1.593000 1.593000 -Mg 3.186000 3.186000 0.000000 -Te 4.779000 4.779000 1.593000 -Mg 6.372000 6.372000 0.000000 -Te 7.965000 7.965000 1.593000 -Mg 3.186000 0.000000 3.186000 -Te 4.779000 1.593000 4.779000 -Mg 6.372000 3.186000 3.186000 -Te 7.965000 4.779000 4.779000 -Mg 9.558000 6.372000 3.186000 -Te 11.151000 7.965000 4.779000 -Mg 6.372000 0.000000 6.372000 -Te 7.965000 1.593000 7.965000 -Mg 9.558000 3.186000 6.372000 -Te 11.151000 4.779000 7.965000 -Mg 12.744000 6.372000 6.372000 -Te 14.337000 7.965000 7.965000 -Mg 0.000000 3.186000 3.186000 -Te 1.593000 4.779000 4.779000 -Mg 3.186000 6.372000 3.186000 -Te 4.779000 7.965000 4.779000 -Mg 6.372000 9.558000 3.186000 -Te 7.965000 11.151000 4.779000 -Mg 3.186000 3.186000 6.372000 -Te 4.779000 4.779000 7.965000 -Mg 6.372000 6.372000 6.372000 -Te 7.965000 7.965000 7.965000 -Mg 9.558000 9.558000 6.372000 -Te 11.151000 11.151000 7.965000 -Mg 6.372000 3.186000 9.558000 -Te 7.965000 4.779000 11.151000 -Mg 9.558000 6.372000 9.558000 -Te 11.151000 7.965000 11.151000 -Mg 12.744000 9.558000 9.558000 -Te 14.337000 11.151000 11.151000 -Mg 0.000000 6.372000 6.372000 -Te 1.593000 7.965000 7.965000 -Mg 3.186000 9.558000 6.372000 -Te 4.779000 11.151000 7.965000 -Mg 6.372000 12.744000 6.372000 -Te 7.965000 14.337000 7.965000 -Mg 3.186000 6.372000 9.558000 -Te 4.779000 7.965000 11.151000 -Mg 6.372000 9.558000 9.558000 -Te 7.965000 11.151000 11.151000 -Mg 9.558000 12.744000 9.558000 -Te 11.151000 14.337000 11.151000 -Mg 6.372000 6.372000 12.744000 -Te 7.965000 7.965000 14.337000 -Mg 9.558000 9.558000 12.744000 -Te 11.151000 11.151000 14.337000 -Mg 12.744000 12.744000 12.744000 -Te 14.337000 14.337000 14.337000 diff --git a/data/compressed_sensing/structures/ZB_structures/OSr.xyz b/data/compressed_sensing/structures/ZB_structures/OSr.xyz deleted file mode 100644 index 85b3680e22986fc311602a2f771b6addb7084a5d..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/OSr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -O 1.370000 1.370000 1.370000 -Sr 2.740000 2.740000 0.000000 -O 4.110000 4.110000 1.370000 -Sr 5.480000 5.480000 0.000000 -O 6.850000 6.850000 1.370000 -Sr 2.740000 0.000000 2.740000 -O 4.110000 1.370000 4.110000 -Sr 5.480000 2.740000 2.740000 -O 6.850000 4.110000 4.110000 -Sr 8.220000 5.480000 2.740000 -O 9.590000 6.850000 4.110000 -Sr 5.480000 0.000000 5.480000 -O 6.850000 1.370000 6.850000 -Sr 8.220000 2.740000 5.480000 -O 9.590000 4.110000 6.850000 -Sr 10.960000 5.480000 5.480000 -O 12.330000 6.850000 6.850000 -Sr 0.000000 2.740000 2.740000 -O 1.370000 4.110000 4.110000 -Sr 2.740000 5.480000 2.740000 -O 4.110000 6.850000 4.110000 -Sr 5.480000 8.220000 2.740000 -O 6.850000 9.590000 4.110000 -Sr 2.740000 2.740000 5.480000 -O 4.110000 4.110000 6.850000 -Sr 5.480000 5.480000 5.480000 -O 6.850000 6.850000 6.850000 -Sr 8.220000 8.220000 5.480000 -O 9.590000 9.590000 6.850000 -Sr 5.480000 2.740000 8.220000 -O 6.850000 4.110000 9.590000 -Sr 8.220000 5.480000 8.220000 -O 9.590000 6.850000 9.590000 -Sr 10.960000 8.220000 8.220000 -O 12.330000 9.590000 9.590000 -Sr 0.000000 5.480000 5.480000 -O 1.370000 6.850000 6.850000 -Sr 2.740000 8.220000 5.480000 -O 4.110000 9.590000 6.850000 -Sr 5.480000 10.960000 5.480000 -O 6.850000 12.330000 6.850000 -Sr 2.740000 5.480000 8.220000 -O 4.110000 6.850000 9.590000 -Sr 5.480000 8.220000 8.220000 -O 6.850000 9.590000 9.590000 -Sr 8.220000 10.960000 8.220000 -O 9.590000 12.330000 9.590000 -Sr 5.480000 5.480000 10.960000 -O 6.850000 6.850000 12.330000 -Sr 8.220000 8.220000 10.960000 -O 9.590000 9.590000 12.330000 -Sr 10.960000 10.960000 10.960000 -O 12.330000 12.330000 12.330000 diff --git a/data/compressed_sensing/structures/ZB_structures/OZn.xyz b/data/compressed_sensing/structures/ZB_structures/OZn.xyz deleted file mode 100644 index 3593e65daa9db46b40172219d729ad6485a98084..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/OZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -O 1.123250 1.123250 1.123250 -Zn 2.246500 2.246500 0.000000 -O 3.369750 3.369750 1.123250 -Zn 4.493000 4.493000 0.000000 -O 5.616250 5.616250 1.123250 -Zn 2.246500 0.000000 2.246500 -O 3.369750 1.123250 3.369750 -Zn 4.493000 2.246500 2.246500 -O 5.616250 3.369750 3.369750 -Zn 6.739500 4.493000 2.246500 -O 7.862750 5.616250 3.369750 -Zn 4.493000 0.000000 4.493000 -O 5.616250 1.123250 5.616250 -Zn 6.739500 2.246500 4.493000 -O 7.862750 3.369750 5.616250 -Zn 8.986000 4.493000 4.493000 -O 10.109250 5.616250 5.616250 -Zn 0.000000 2.246500 2.246500 -O 1.123250 3.369750 3.369750 -Zn 2.246500 4.493000 2.246500 -O 3.369750 5.616250 3.369750 -Zn 4.493000 6.739500 2.246500 -O 5.616250 7.862750 3.369750 -Zn 2.246500 2.246500 4.493000 -O 3.369750 3.369750 5.616250 -Zn 4.493000 4.493000 4.493000 -O 5.616250 5.616250 5.616250 -Zn 6.739500 6.739500 4.493000 -O 7.862750 7.862750 5.616250 -Zn 4.493000 2.246500 6.739500 -O 5.616250 3.369750 7.862750 -Zn 6.739500 4.493000 6.739500 -O 7.862750 5.616250 7.862750 -Zn 8.986000 6.739500 6.739500 -O 10.109250 7.862750 7.862750 -Zn 0.000000 4.493000 4.493000 -O 1.123250 5.616250 5.616250 -Zn 2.246500 6.739500 4.493000 -O 3.369750 7.862750 5.616250 -Zn 4.493000 8.986000 4.493000 -O 5.616250 10.109250 5.616250 -Zn 2.246500 4.493000 6.739500 -O 3.369750 5.616250 7.862750 -Zn 4.493000 6.739500 6.739500 -O 5.616250 7.862750 7.862750 -Zn 6.739500 8.986000 6.739500 -O 7.862750 10.109250 7.862750 -Zn 4.493000 4.493000 8.986000 -O 5.616250 5.616250 10.109250 -Zn 6.739500 6.739500 8.986000 -O 7.862750 7.862750 10.109250 -Zn 8.986000 8.986000 8.986000 -O 10.109250 10.109250 10.109250 diff --git a/data/compressed_sensing/structures/ZB_structures/SSr.xyz b/data/compressed_sensing/structures/ZB_structures/SSr.xyz deleted file mode 100644 index 907d9662ea8f055145d75045479ef1226513935f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/SSr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -S 1.628500 1.628500 1.628500 -Sr 3.257000 3.257000 0.000000 -S 4.885500 4.885500 1.628500 -Sr 6.514000 6.514000 0.000000 -S 8.142500 8.142500 1.628500 -Sr 3.257000 0.000000 3.257000 -S 4.885500 1.628500 4.885500 -Sr 6.514000 3.257000 3.257000 -S 8.142500 4.885500 4.885500 -Sr 9.771000 6.514000 3.257000 -S 11.399500 8.142500 4.885500 -Sr 6.514000 0.000000 6.514000 -S 8.142500 1.628500 8.142500 -Sr 9.771000 3.257000 6.514000 -S 11.399500 4.885500 8.142500 -Sr 13.028000 6.514000 6.514000 -S 14.656500 8.142500 8.142500 -Sr 0.000000 3.257000 3.257000 -S 1.628500 4.885500 4.885500 -Sr 3.257000 6.514000 3.257000 -S 4.885500 8.142500 4.885500 -Sr 6.514000 9.771000 3.257000 -S 8.142500 11.399500 4.885500 -Sr 3.257000 3.257000 6.514000 -S 4.885500 4.885500 8.142500 -Sr 6.514000 6.514000 6.514000 -S 8.142500 8.142500 8.142500 -Sr 9.771000 9.771000 6.514000 -S 11.399500 11.399500 8.142500 -Sr 6.514000 3.257000 9.771000 -S 8.142500 4.885500 11.399500 -Sr 9.771000 6.514000 9.771000 -S 11.399500 8.142500 11.399500 -Sr 13.028000 9.771000 9.771000 -S 14.656500 11.399500 11.399500 -Sr 0.000000 6.514000 6.514000 -S 1.628500 8.142500 8.142500 -Sr 3.257000 9.771000 6.514000 -S 4.885500 11.399500 8.142500 -Sr 6.514000 13.028000 6.514000 -S 8.142500 14.656500 8.142500 -Sr 3.257000 6.514000 9.771000 -S 4.885500 8.142500 11.399500 -Sr 6.514000 9.771000 9.771000 -S 8.142500 11.399500 11.399500 -Sr 9.771000 13.028000 9.771000 -S 11.399500 14.656500 11.399500 -Sr 6.514000 6.514000 13.028000 -S 8.142500 8.142500 14.656500 -Sr 9.771000 9.771000 13.028000 -S 11.399500 11.399500 14.656500 -Sr 13.028000 13.028000 13.028000 -S 14.656500 14.656500 14.656500 diff --git a/data/compressed_sensing/structures/ZB_structures/SZn.xyz b/data/compressed_sensing/structures/ZB_structures/SZn.xyz deleted file mode 100644 index d422c14093c800311ec944e631f1cbe249a70e5f..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/SZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -S 1.324750 1.324750 1.324750 -Zn 2.649500 2.649500 0.000000 -S 3.974250 3.974250 1.324750 -Zn 5.299000 5.299000 0.000000 -S 6.623750 6.623750 1.324750 -Zn 2.649500 0.000000 2.649500 -S 3.974250 1.324750 3.974250 -Zn 5.299000 2.649500 2.649500 -S 6.623750 3.974250 3.974250 -Zn 7.948500 5.299000 2.649500 -S 9.273250 6.623750 3.974250 -Zn 5.299000 0.000000 5.299000 -S 6.623750 1.324750 6.623750 -Zn 7.948500 2.649500 5.299000 -S 9.273250 3.974250 6.623750 -Zn 10.598000 5.299000 5.299000 -S 11.922750 6.623750 6.623750 -Zn 0.000000 2.649500 2.649500 -S 1.324750 3.974250 3.974250 -Zn 2.649500 5.299000 2.649500 -S 3.974250 6.623750 3.974250 -Zn 5.299000 7.948500 2.649500 -S 6.623750 9.273250 3.974250 -Zn 2.649500 2.649500 5.299000 -S 3.974250 3.974250 6.623750 -Zn 5.299000 5.299000 5.299000 -S 6.623750 6.623750 6.623750 -Zn 7.948500 7.948500 5.299000 -S 9.273250 9.273250 6.623750 -Zn 5.299000 2.649500 7.948500 -S 6.623750 3.974250 9.273250 -Zn 7.948500 5.299000 7.948500 -S 9.273250 6.623750 9.273250 -Zn 10.598000 7.948500 7.948500 -S 11.922750 9.273250 9.273250 -Zn 0.000000 5.299000 5.299000 -S 1.324750 6.623750 6.623750 -Zn 2.649500 7.948500 5.299000 -S 3.974250 9.273250 6.623750 -Zn 5.299000 10.598000 5.299000 -S 6.623750 11.922750 6.623750 -Zn 2.649500 5.299000 7.948500 -S 3.974250 6.623750 9.273250 -Zn 5.299000 7.948500 7.948500 -S 6.623750 9.273250 9.273250 -Zn 7.948500 10.598000 7.948500 -S 9.273250 11.922750 9.273250 -Zn 5.299000 5.299000 10.598000 -S 6.623750 6.623750 11.922750 -Zn 7.948500 7.948500 10.598000 -S 9.273250 9.273250 11.922750 -Zn 10.598000 10.598000 10.598000 -S 11.922750 11.922750 11.922750 diff --git a/data/compressed_sensing/structures/ZB_structures/SeSr.xyz b/data/compressed_sensing/structures/ZB_structures/SeSr.xyz deleted file mode 100644 index 7a1e1dcde44993167eba0986ad6ab0a4e4119ffd..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/SeSr.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -Se 1.693750 1.693750 1.693750 -Sr 3.387500 3.387500 0.000000 -Se 5.081250 5.081250 1.693750 -Sr 6.775000 6.775000 0.000000 -Se 8.468750 8.468750 1.693750 -Sr 3.387500 0.000000 3.387500 -Se 5.081250 1.693750 5.081250 -Sr 6.775000 3.387500 3.387500 -Se 8.468750 5.081250 5.081250 -Sr 10.162500 6.775000 3.387500 -Se 11.856250 8.468750 5.081250 -Sr 6.775000 0.000000 6.775000 -Se 8.468750 1.693750 8.468750 -Sr 10.162500 3.387500 6.775000 -Se 11.856250 5.081250 8.468750 -Sr 13.550000 6.775000 6.775000 -Se 15.243750 8.468750 8.468750 -Sr 0.000000 3.387500 3.387500 -Se 1.693750 5.081250 5.081250 -Sr 3.387500 6.775000 3.387500 -Se 5.081250 8.468750 5.081250 -Sr 6.775000 10.162500 3.387500 -Se 8.468750 11.856250 5.081250 -Sr 3.387500 3.387500 6.775000 -Se 5.081250 5.081250 8.468750 -Sr 6.775000 6.775000 6.775000 -Se 8.468750 8.468750 8.468750 -Sr 10.162500 10.162500 6.775000 -Se 11.856250 11.856250 8.468750 -Sr 6.775000 3.387500 10.162500 -Se 8.468750 5.081250 11.856250 -Sr 10.162500 6.775000 10.162500 -Se 11.856250 8.468750 11.856250 -Sr 13.550000 10.162500 10.162500 -Se 15.243750 11.856250 11.856250 -Sr 0.000000 6.775000 6.775000 -Se 1.693750 8.468750 8.468750 -Sr 3.387500 10.162500 6.775000 -Se 5.081250 11.856250 8.468750 -Sr 6.775000 13.550000 6.775000 -Se 8.468750 15.243750 8.468750 -Sr 3.387500 6.775000 10.162500 -Se 5.081250 8.468750 11.856250 -Sr 6.775000 10.162500 10.162500 -Se 8.468750 11.856250 11.856250 -Sr 10.162500 13.550000 10.162500 -Se 11.856250 15.243750 11.856250 -Sr 6.775000 6.775000 13.550000 -Se 8.468750 8.468750 15.243750 -Sr 10.162500 10.162500 13.550000 -Se 11.856250 11.856250 15.243750 -Sr 13.550000 13.550000 13.550000 -Se 15.243750 15.243750 15.243750 diff --git a/data/compressed_sensing/structures/ZB_structures/SeZn.xyz b/data/compressed_sensing/structures/ZB_structures/SeZn.xyz deleted file mode 100644 index 1293228015f12743d9548f2bfbccab7b7dbe21ec..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/SeZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -Se 1.393000 1.393000 1.393000 -Zn 2.786000 2.786000 0.000000 -Se 4.179000 4.179000 1.393000 -Zn 5.572000 5.572000 0.000000 -Se 6.965000 6.965000 1.393000 -Zn 2.786000 0.000000 2.786000 -Se 4.179000 1.393000 4.179000 -Zn 5.572000 2.786000 2.786000 -Se 6.965000 4.179000 4.179000 -Zn 8.358000 5.572000 2.786000 -Se 9.751000 6.965000 4.179000 -Zn 5.572000 0.000000 5.572000 -Se 6.965000 1.393000 6.965000 -Zn 8.358000 2.786000 5.572000 -Se 9.751000 4.179000 6.965000 -Zn 11.144000 5.572000 5.572000 -Se 12.537000 6.965000 6.965000 -Zn 0.000000 2.786000 2.786000 -Se 1.393000 4.179000 4.179000 -Zn 2.786000 5.572000 2.786000 -Se 4.179000 6.965000 4.179000 -Zn 5.572000 8.358000 2.786000 -Se 6.965000 9.751000 4.179000 -Zn 2.786000 2.786000 5.572000 -Se 4.179000 4.179000 6.965000 -Zn 5.572000 5.572000 5.572000 -Se 6.965000 6.965000 6.965000 -Zn 8.358000 8.358000 5.572000 -Se 9.751000 9.751000 6.965000 -Zn 5.572000 2.786000 8.358000 -Se 6.965000 4.179000 9.751000 -Zn 8.358000 5.572000 8.358000 -Se 9.751000 6.965000 9.751000 -Zn 11.144000 8.358000 8.358000 -Se 12.537000 9.751000 9.751000 -Zn 0.000000 5.572000 5.572000 -Se 1.393000 6.965000 6.965000 -Zn 2.786000 8.358000 5.572000 -Se 4.179000 9.751000 6.965000 -Zn 5.572000 11.144000 5.572000 -Se 6.965000 12.537000 6.965000 -Zn 2.786000 5.572000 8.358000 -Se 4.179000 6.965000 9.751000 -Zn 5.572000 8.358000 8.358000 -Se 6.965000 9.751000 9.751000 -Zn 8.358000 11.144000 8.358000 -Se 9.751000 12.537000 9.751000 -Zn 5.572000 5.572000 11.144000 -Se 6.965000 6.965000 12.537000 -Zn 8.358000 8.358000 11.144000 -Se 9.751000 9.751000 12.537000 -Zn 11.144000 11.144000 11.144000 -Se 12.537000 12.537000 12.537000 diff --git a/data/compressed_sensing/structures/ZB_structures/Si2.xyz b/data/compressed_sensing/structures/ZB_structures/Si2.xyz deleted file mode 100644 index d89ef1b4f5a8921f7298a9786968bd3de32f12c8..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/Si2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Si 0.000000 0.000000 0.000000 -Si 1.350750 1.350750 1.350750 -Si 2.701500 2.701500 0.000000 -Si 4.052250 4.052250 1.350750 -Si 5.403000 5.403000 0.000000 -Si 6.753750 6.753750 1.350750 -Si 2.701500 0.000000 2.701500 -Si 4.052250 1.350750 4.052250 -Si 5.403000 2.701500 2.701500 -Si 6.753750 4.052250 4.052250 -Si 8.104500 5.403000 2.701500 -Si 9.455250 6.753750 4.052250 -Si 5.403000 0.000000 5.403000 -Si 6.753750 1.350750 6.753750 -Si 8.104500 2.701500 5.403000 -Si 9.455250 4.052250 6.753750 -Si 10.806000 5.403000 5.403000 -Si 12.156750 6.753750 6.753750 -Si 0.000000 2.701500 2.701500 -Si 1.350750 4.052250 4.052250 -Si 2.701500 5.403000 2.701500 -Si 4.052250 6.753750 4.052250 -Si 5.403000 8.104500 2.701500 -Si 6.753750 9.455250 4.052250 -Si 2.701500 2.701500 5.403000 -Si 4.052250 4.052250 6.753750 -Si 5.403000 5.403000 5.403000 -Si 6.753750 6.753750 6.753750 -Si 8.104500 8.104500 5.403000 -Si 9.455250 9.455250 6.753750 -Si 5.403000 2.701500 8.104500 -Si 6.753750 4.052250 9.455250 -Si 8.104500 5.403000 8.104500 -Si 9.455250 6.753750 9.455250 -Si 10.806000 8.104500 8.104500 -Si 12.156750 9.455250 9.455250 -Si 0.000000 5.403000 5.403000 -Si 1.350750 6.753750 6.753750 -Si 2.701500 8.104500 5.403000 -Si 4.052250 9.455250 6.753750 -Si 5.403000 10.806000 5.403000 -Si 6.753750 12.156750 6.753750 -Si 2.701500 5.403000 8.104500 -Si 4.052250 6.753750 9.455250 -Si 5.403000 8.104500 8.104500 -Si 6.753750 9.455250 9.455250 -Si 8.104500 10.806000 8.104500 -Si 9.455250 12.156750 9.455250 -Si 5.403000 5.403000 10.806000 -Si 6.753750 6.753750 12.156750 -Si 8.104500 8.104500 10.806000 -Si 9.455250 9.455250 12.156750 -Si 10.806000 10.806000 10.806000 -Si 12.156750 12.156750 12.156750 diff --git a/data/compressed_sensing/structures/ZB_structures/SiSn.xyz b/data/compressed_sensing/structures/ZB_structures/SiSn.xyz deleted file mode 100644 index 5c46c12b468407775108dbef30968092febb7555..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/SiSn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -Si 1.488250 1.488250 1.488250 -Sn 2.976500 2.976500 0.000000 -Si 4.464750 4.464750 1.488250 -Sn 5.953000 5.953000 0.000000 -Si 7.441250 7.441250 1.488250 -Sn 2.976500 0.000000 2.976500 -Si 4.464750 1.488250 4.464750 -Sn 5.953000 2.976500 2.976500 -Si 7.441250 4.464750 4.464750 -Sn 8.929500 5.953000 2.976500 -Si 10.417750 7.441250 4.464750 -Sn 5.953000 0.000000 5.953000 -Si 7.441250 1.488250 7.441250 -Sn 8.929500 2.976500 5.953000 -Si 10.417750 4.464750 7.441250 -Sn 11.906000 5.953000 5.953000 -Si 13.394250 7.441250 7.441250 -Sn 0.000000 2.976500 2.976500 -Si 1.488250 4.464750 4.464750 -Sn 2.976500 5.953000 2.976500 -Si 4.464750 7.441250 4.464750 -Sn 5.953000 8.929500 2.976500 -Si 7.441250 10.417750 4.464750 -Sn 2.976500 2.976500 5.953000 -Si 4.464750 4.464750 7.441250 -Sn 5.953000 5.953000 5.953000 -Si 7.441250 7.441250 7.441250 -Sn 8.929500 8.929500 5.953000 -Si 10.417750 10.417750 7.441250 -Sn 5.953000 2.976500 8.929500 -Si 7.441250 4.464750 10.417750 -Sn 8.929500 5.953000 8.929500 -Si 10.417750 7.441250 10.417750 -Sn 11.906000 8.929500 8.929500 -Si 13.394250 10.417750 10.417750 -Sn 0.000000 5.953000 5.953000 -Si 1.488250 7.441250 7.441250 -Sn 2.976500 8.929500 5.953000 -Si 4.464750 10.417750 7.441250 -Sn 5.953000 11.906000 5.953000 -Si 7.441250 13.394250 7.441250 -Sn 2.976500 5.953000 8.929500 -Si 4.464750 7.441250 10.417750 -Sn 5.953000 8.929500 8.929500 -Si 7.441250 10.417750 10.417750 -Sn 8.929500 11.906000 8.929500 -Si 10.417750 13.394250 10.417750 -Sn 5.953000 5.953000 11.906000 -Si 7.441250 7.441250 13.394250 -Sn 8.929500 8.929500 11.906000 -Si 10.417750 10.417750 13.394250 -Sn 11.906000 11.906000 11.906000 -Si 13.394250 13.394250 13.394250 diff --git a/data/compressed_sensing/structures/ZB_structures/Sn2.xyz b/data/compressed_sensing/structures/ZB_structures/Sn2.xyz deleted file mode 100644 index e4712e8acd656c6641c2162f1024013eca3ac198..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/Sn2.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sn 0.000000 0.000000 0.000000 -Sn 1.619000 1.619000 1.619000 -Sn 3.238000 3.238000 0.000000 -Sn 4.857000 4.857000 1.619000 -Sn 6.476000 6.476000 0.000000 -Sn 8.095000 8.095000 1.619000 -Sn 3.238000 0.000000 3.238000 -Sn 4.857000 1.619000 4.857000 -Sn 6.476000 3.238000 3.238000 -Sn 8.095000 4.857000 4.857000 -Sn 9.714000 6.476000 3.238000 -Sn 11.333000 8.095000 4.857000 -Sn 6.476000 0.000000 6.476000 -Sn 8.095000 1.619000 8.095000 -Sn 9.714000 3.238000 6.476000 -Sn 11.333000 4.857000 8.095000 -Sn 12.952000 6.476000 6.476000 -Sn 14.571000 8.095000 8.095000 -Sn 0.000000 3.238000 3.238000 -Sn 1.619000 4.857000 4.857000 -Sn 3.238000 6.476000 3.238000 -Sn 4.857000 8.095000 4.857000 -Sn 6.476000 9.714000 3.238000 -Sn 8.095000 11.333000 4.857000 -Sn 3.238000 3.238000 6.476000 -Sn 4.857000 4.857000 8.095000 -Sn 6.476000 6.476000 6.476000 -Sn 8.095000 8.095000 8.095000 -Sn 9.714000 9.714000 6.476000 -Sn 11.333000 11.333000 8.095000 -Sn 6.476000 3.238000 9.714000 -Sn 8.095000 4.857000 11.333000 -Sn 9.714000 6.476000 9.714000 -Sn 11.333000 8.095000 11.333000 -Sn 12.952000 9.714000 9.714000 -Sn 14.571000 11.333000 11.333000 -Sn 0.000000 6.476000 6.476000 -Sn 1.619000 8.095000 8.095000 -Sn 3.238000 9.714000 6.476000 -Sn 4.857000 11.333000 8.095000 -Sn 6.476000 12.952000 6.476000 -Sn 8.095000 14.571000 8.095000 -Sn 3.238000 6.476000 9.714000 -Sn 4.857000 8.095000 11.333000 -Sn 6.476000 9.714000 9.714000 -Sn 8.095000 11.333000 11.333000 -Sn 9.714000 12.952000 9.714000 -Sn 11.333000 14.571000 11.333000 -Sn 6.476000 6.476000 12.952000 -Sn 8.095000 8.095000 14.571000 -Sn 9.714000 9.714000 12.952000 -Sn 11.333000 11.333000 14.571000 -Sn 12.952000 12.952000 12.952000 -Sn 14.571000 14.571000 14.571000 diff --git a/data/compressed_sensing/structures/ZB_structures/SrTe.xyz b/data/compressed_sensing/structures/ZB_structures/SrTe.xyz deleted file mode 100644 index c1980d4bd87595f478715fa839e71404c9f9d228..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/SrTe.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Sr 0.000000 0.000000 0.000000 -Te 1.816750 1.816750 1.816750 -Sr 3.633500 3.633500 0.000000 -Te 5.450250 5.450250 1.816750 -Sr 7.267000 7.267000 0.000000 -Te 9.083750 9.083750 1.816750 -Sr 3.633500 0.000000 3.633500 -Te 5.450250 1.816750 5.450250 -Sr 7.267000 3.633500 3.633500 -Te 9.083750 5.450250 5.450250 -Sr 10.900500 7.267000 3.633500 -Te 12.717250 9.083750 5.450250 -Sr 7.267000 0.000000 7.267000 -Te 9.083750 1.816750 9.083750 -Sr 10.900500 3.633500 7.267000 -Te 12.717250 5.450250 9.083750 -Sr 14.534000 7.267000 7.267000 -Te 16.350750 9.083750 9.083750 -Sr 0.000000 3.633500 3.633500 -Te 1.816750 5.450250 5.450250 -Sr 3.633500 7.267000 3.633500 -Te 5.450250 9.083750 5.450250 -Sr 7.267000 10.900500 3.633500 -Te 9.083750 12.717250 5.450250 -Sr 3.633500 3.633500 7.267000 -Te 5.450250 5.450250 9.083750 -Sr 7.267000 7.267000 7.267000 -Te 9.083750 9.083750 9.083750 -Sr 10.900500 10.900500 7.267000 -Te 12.717250 12.717250 9.083750 -Sr 7.267000 3.633500 10.900500 -Te 9.083750 5.450250 12.717250 -Sr 10.900500 7.267000 10.900500 -Te 12.717250 9.083750 12.717250 -Sr 14.534000 10.900500 10.900500 -Te 16.350750 12.717250 12.717250 -Sr 0.000000 7.267000 7.267000 -Te 1.816750 9.083750 9.083750 -Sr 3.633500 10.900500 7.267000 -Te 5.450250 12.717250 9.083750 -Sr 7.267000 14.534000 7.267000 -Te 9.083750 16.350750 9.083750 -Sr 3.633500 7.267000 10.900500 -Te 5.450250 9.083750 12.717250 -Sr 7.267000 10.900500 10.900500 -Te 9.083750 12.717250 12.717250 -Sr 10.900500 14.534000 10.900500 -Te 12.717250 16.350750 12.717250 -Sr 7.267000 7.267000 14.534000 -Te 9.083750 9.083750 16.350750 -Sr 10.900500 10.900500 14.534000 -Te 12.717250 12.717250 16.350750 -Sr 14.534000 14.534000 14.534000 -Te 16.350750 16.350750 16.350750 diff --git a/data/compressed_sensing/structures/ZB_structures/TeZn.xyz b/data/compressed_sensing/structures/ZB_structures/TeZn.xyz deleted file mode 100644 index 144bf97e3a5e23cc9aed5ef0f788ca896dd00255..0000000000000000000000000000000000000000 --- a/data/compressed_sensing/structures/ZB_structures/TeZn.xyz +++ /dev/null @@ -1,56 +0,0 @@ -54 - -Zn 0.000000 0.000000 0.000000 -Te 1.499500 1.499500 1.499500 -Zn 2.999000 2.999000 0.000000 -Te 4.498500 4.498500 1.499500 -Zn 5.998000 5.998000 0.000000 -Te 7.497500 7.497500 1.499500 -Zn 2.999000 0.000000 2.999000 -Te 4.498500 1.499500 4.498500 -Zn 5.998000 2.999000 2.999000 -Te 7.497500 4.498500 4.498500 -Zn 8.997000 5.998000 2.999000 -Te 10.496500 7.497500 4.498500 -Zn 5.998000 0.000000 5.998000 -Te 7.497500 1.499500 7.497500 -Zn 8.997000 2.999000 5.998000 -Te 10.496500 4.498500 7.497500 -Zn 11.996000 5.998000 5.998000 -Te 13.495500 7.497500 7.497500 -Zn 0.000000 2.999000 2.999000 -Te 1.499500 4.498500 4.498500 -Zn 2.999000 5.998000 2.999000 -Te 4.498500 7.497500 4.498500 -Zn 5.998000 8.997000 2.999000 -Te 7.497500 10.496500 4.498500 -Zn 2.999000 2.999000 5.998000 -Te 4.498500 4.498500 7.497500 -Zn 5.998000 5.998000 5.998000 -Te 7.497500 7.497500 7.497500 -Zn 8.997000 8.997000 5.998000 -Te 10.496500 10.496500 7.497500 -Zn 5.998000 2.999000 8.997000 -Te 7.497500 4.498500 10.496500 -Zn 8.997000 5.998000 8.997000 -Te 10.496500 7.497500 10.496500 -Zn 11.996000 8.997000 8.997000 -Te 13.495500 10.496500 10.496500 -Zn 0.000000 5.998000 5.998000 -Te 1.499500 7.497500 7.497500 -Zn 2.999000 8.997000 5.998000 -Te 4.498500 10.496500 7.497500 -Zn 5.998000 11.996000 5.998000 -Te 7.497500 13.495500 7.497500 -Zn 2.999000 5.998000 8.997000 -Te 4.498500 7.497500 10.496500 -Zn 5.998000 8.997000 8.997000 -Te 7.497500 10.496500 10.496500 -Zn 8.997000 11.996000 8.997000 -Te 10.496500 13.495500 10.496500 -Zn 5.998000 5.998000 11.996000 -Te 7.497500 7.497500 13.495500 -Zn 8.997000 8.997000 11.996000 -Te 10.496500 10.496500 13.495500 -Zn 11.996000 11.996000 11.996000 -Te 13.495500 13.495500 13.495500