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{
"id": "jvasp-32013",
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"updated_at": "2022-09-04T14:38:08.998125Z",
"structure_string": "Ni1 H16 C4 S4 N8 Cl2\n1.0\n-4.801061 4.801061 4.363707\n4.801061 -4.801061 4.363707\n4.801061 4.801061 -4.363707\nNi H C S N Cl\n1 16 4 4 8 2\ndirect\n-0.000161 -0.000161 -0.000000 Ni\n0.936261 0.943789 0.330968 H\n0.612819 0.605292 0.669031 H\n0.943789 0.612819 0.007527 H\n0.605292 0.936261 0.992473 H\n0.036031 0.028619 0.585608 H\n0.443012 0.450423 0.414391 H\n0.028619 0.443012 0.992588 H\n0.450423 0.036031 0.007412 H\n0.404751 0.616766 0.222088 H\n0.182662 0.404750 0.787984 H\n0.616766 0.394678 0.212016 H\n0.551911 0.198147 0.663595 H\n0.534552 0.888316 0.336405 H\n0.198147 0.534552 0.646236 H\n0.888316 0.551911 0.353764 H\n0.394678 0.182662 0.777912 H\n0.247353 0.074273 0.478127 C\n0.596146 0.769225 0.521873 C\n0.769225 0.247354 0.173080 C\n0.074273 0.596145 0.826920 C\n0.008318 0.284350 0.228953 S\n0.055396 0.779364 0.771046 S\n0.779364 0.008318 0.723968 S\n0.284350 0.055396 0.276032 S\n0.757482 0.410494 0.251453 N\n0.159041 0.506028 0.748547 N\n0.506029 0.757482 0.346986 N\n0.410494 0.159041 0.653013 N\n0.594800 0.060223 0.051442 N\n0.008780 0.543358 0.948558 N\n0.543358 0.594800 0.534578 N\n0.060222 0.008780 0.465422 N\n0.722544 0.722544 0.000000 Cl\n0.288557 0.288557 0.000000 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:19.957366Z",
"structure_string": "Nb9 P1 O25\n1.0\n3.822813 0.000000 0.663308\n1.911406 11.228203 0.331655\n-0.008153 -0.000000 11.394557\nNb P O\n9 1 25\ndirect\n0.882265 0.782995 0.442837 Nb\n0.674897 0.442837 0.217004 Nb\n0.334741 0.557163 0.782996 Nb\n0.108099 0.217004 0.557163 Nb\n0.000000 0.000000 0.000000 Nb\n0.884351 0.328039 0.891056 Nb\n0.103446 0.671961 0.108944 Nb\n0.224595 0.891056 0.671961 Nb\n0.787611 0.108944 0.328039 Nb\n0.250001 0.500000 0.500000 P\n0.885565 0.062967 0.169052 O\n0.291042 0.709708 0.729514 O\n0.999252 0.270486 0.709708 O\n0.842396 0.954456 0.395799 O\n0.761805 0.395799 0.045544 O\n0.203149 0.604200 0.954456 O\n0.192652 0.045544 0.604201 O\n0.146640 0.489665 0.200735 O\n0.117585 0.937033 0.830948 O\n0.652626 0.200735 0.510335 O\n0.363697 0.799264 0.489665 O\n0.837041 0.510334 0.799265 O\n0.967044 0.614505 0.514522 O\n0.518435 0.514522 0.385495 O\n0.418452 0.485478 0.614505 O\n0.051469 0.830948 0.062966 O\n0.096072 0.385495 0.485478 O\n0.730263 0.290292 0.270486 O\n0.500000 -0.000000 0.000000 O\n0.255648 0.139458 0.365721 O\n0.378632 0.365721 0.860542 O\n0.604894 0.634279 0.139458 O\n0.760828 0.860542 0.634279 O\n0.979445 0.729514 0.290292 O\n0.945382 0.169052 0.937033 O\n",
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{
"id": "jvasp-29442",
"created_at": "2022-09-04T14:37:54.220511Z",
"updated_at": "2022-09-04T14:37:54.220534Z",
"structure_string": "Bi14 Te13 S8\n1.0\n10.073923 0.076939 6.717690\n3.634512 9.395754 6.717689\n0.111343 0.076941 12.107803\nBi Te S\n14 13 8\ndirect\n0.392555 0.392555 0.392555 Bi\n0.886125 0.186279 0.742352 Bi\n0.536857 0.680959 0.952930 Bi\n0.113874 0.813720 0.257648 Bi\n0.463142 0.319041 0.047071 Bi\n0.680959 0.952929 0.536858 Bi\n0.047070 0.463142 0.319041 Bi\n0.186279 0.742352 0.886126 Bi\n0.813720 0.257648 0.113875 Bi\n0.319041 0.047071 0.463142 Bi\n0.952929 0.536858 0.680959 Bi\n0.607445 0.607445 0.607445 Bi\n0.257648 0.113874 0.813721 Bi\n0.742352 0.886125 0.186280 Bi\n0.485578 0.790129 0.367325 Te\n0.066666 0.358607 0.929439 Te\n0.632675 0.514421 0.209870 Te\n0.358607 0.929439 0.066667 Te\n0.070561 0.933333 0.641393 Te\n0.641392 0.070561 0.933334 Te\n0.514421 0.209870 0.632676 Te\n0.209870 0.632675 0.514422 Te\n0.790129 0.367324 0.485579 Te\n0.933333 0.641392 0.070561 Te\n0.929439 0.066666 0.358607 Te\n0.367324 0.485578 0.790130 Te\n0.000000 0.000000 0.000000 Te\n0.861290 0.707608 0.428630 S\n0.292391 0.571371 0.138710 S\n0.769373 0.769373 0.769374 S\n0.571371 0.138709 0.292392 S\n0.707608 0.428629 0.861291 S\n0.428629 0.861290 0.707609 S\n0.138709 0.292391 0.571371 S\n0.230626 0.230626 0.230626 S\n",
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{
"id": "jvasp-101898",
"created_at": "2022-09-04T14:36:40.909110Z",
"updated_at": "2022-09-04T14:36:40.909130Z",
"structure_string": "Al1 H18 C10 Cl1 O5\n1.0\n5.260287 0.030841 0.083650\n-0.851831 6.693770 -1.910712\n0.189562 -0.137384 9.119222\nAl H C Cl O\n1 18 10 1 5\ndirect\n0.537848 0.627014 0.924673 Al\n0.023419 0.865153 0.466068 H\n0.825902 0.732767 0.308070 H\n0.269871 0.465644 0.712634 H\n0.439759 0.869191 0.454111 H\n0.671105 0.054692 0.420545 H\n0.854806 0.086944 0.693534 H\n0.560457 0.948292 0.721288 H\n0.674988 0.244210 0.267163 H\n0.129091 0.668056 0.826932 H\n0.147638 0.509230 0.434033 H\n0.938195 0.340341 0.504577 H\n0.807799 0.666521 0.626976 H\n0.572783 0.549498 0.485417 H\n0.957490 0.226052 0.973114 H\n0.197301 0.058032 0.954312 H\n0.255989 0.255091 0.206980 H\n0.052995 0.050247 0.236412 H\n0.856402 0.430042 0.200419 H\n0.018323 0.103767 0.012113 C\n0.059632 0.178744 0.188621 C\n0.776788 0.611574 0.501919 C\n0.945370 0.443408 0.432701 C\n0.869455 0.324571 0.268338 C\n0.635593 0.942729 0.484426 C\n0.828279 0.788822 0.434000 C\n0.524382 0.237630 0.708718 C\n0.817130 0.930477 0.973788 C\n0.653039 0.049033 0.656655 C\n0.370568 0.601668 0.135616 Cl\n0.324986 0.256033 0.644268 O\n0.878499 0.745782 0.920899 O\n0.578869 0.937687 -0.006485 O\n0.631821 0.378797 0.823940 O\n0.294787 0.616628 0.782592 O\n",
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{
"id": "jvasp-97660",
"created_at": "2022-09-04T14:35:51.074235Z",
"updated_at": "2022-09-04T14:35:51.074257Z",
"structure_string": "Ba14 Na14 Ca1 N6\n1.0\n10.763340 -0.000000 6.214217\n3.587780 10.147774 6.214217\n0.000000 0.000000 12.428434\nBa Na Ca N\n14 14 1 6\ndirect\n0.290573 0.709427 0.709428 Ba\n0.709428 0.709427 0.290573 Ba\n0.290573 0.709427 0.290573 Ba\n0.709428 0.290572 0.709428 Ba\n0.709428 0.290572 0.290573 Ba\n0.108385 0.108385 0.108385 Ba\n0.891615 0.891615 0.325155 Ba\n0.325155 0.891615 0.891615 Ba\n0.891615 0.325155 0.891615 Ba\n0.674845 0.108385 0.108385 Ba\n0.108385 0.674845 0.108385 Ba\n0.108385 0.108385 0.674845 Ba\n0.891615 0.891615 0.891615 Ba\n0.290573 0.290572 0.709427 Ba\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.670205 0.670204 0.670205 Na\n0.329795 0.329795 0.010614 Na\n0.500000 0.000000 0.000000 Na\n0.010614 0.329795 0.329795 Na\n0.670205 0.989386 0.670205 Na\n0.329795 0.010614 0.329795 Na\n0.670205 0.670204 0.989386 Na\n0.329795 0.329795 0.329795 Na\n0.000000 0.000000 0.500000 Na\n0.989386 0.670204 0.670205 Na\n0.000000 0.000000 0.000000 Ca\n0.146036 0.853964 0.853964 N\n0.146036 0.146036 0.853964 N\n0.853964 0.853964 0.146036 N\n0.146036 0.853964 0.146036 N\n0.853964 0.146036 0.853964 N\n0.853964 0.146036 0.146036 N\n",
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{
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"created_at": "2022-09-04T14:35:50.690076Z",
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842629 0.003699\n7.642611 0.000000 0.000000\n0.000000 -0.030760 -9.706472\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991970 0.393721 0.836444 Ca\n0.008030 0.893721 0.663555 Ca\n0.008030 0.606279 0.163555 Ca\n0.991970 0.106279 0.336444 Ca\n0.529269 0.732425 0.915931 Si\n0.470731 0.232425 0.584068 Si\n0.470731 0.267575 0.084069 Si\n0.529269 0.767575 0.415931 Si\n0.428425 0.911363 0.159020 B\n0.571575 0.411363 0.340980 B\n0.571575 0.088637 0.840979 B\n0.428425 0.588637 0.659020 B\n0.809999 0.535134 0.577354 H\n0.190001 0.035134 0.922646 H\n0.809999 0.964866 0.077354 H\n0.190001 0.464866 0.422646 H\n0.678288 0.335251 0.211212 O\n0.261007 0.413739 0.336696 O\n0.738994 0.913739 0.163304 O\n0.687385 0.588984 0.354286 O\n0.312615 0.088984 0.145714 O\n0.312615 0.411016 0.645714 O\n0.687385 0.911015 0.854286 O\n0.321712 0.835251 0.288788 O\n0.678288 0.164749 0.711212 O\n0.241711 0.095460 0.535986 O\n0.325914 0.697578 0.542353 O\n0.674086 0.197578 0.957647 O\n0.674086 0.302422 0.457647 O\n0.325914 0.802422 0.042353 O\n0.758289 0.904540 0.464013 O\n0.241711 0.404540 0.035986 O\n0.261007 0.086261 0.836696 O\n0.758289 0.595460 0.964013 O\n0.321712 0.664749 0.788788 O\n0.738994 0.586261 0.663304 O\n",
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{
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"created_at": "2022-09-04T14:35:46.778753Z",
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"structure_string": "Ba12 B8 N16\n1.0\n4.262086 0.000000 0.000000\n0.000000 11.104663 0.000000\n0.000000 0.000000 14.832829\nBa B N\n12 8 16\ndirect\n0.903291 0.311996 0.386111 Ba\n0.096710 0.811996 0.113889 Ba\n0.596711 0.688004 0.886111 Ba\n0.773053 0.154932 0.092802 Ba\n0.273053 0.345068 0.907198 Ba\n0.226948 0.654932 0.407198 Ba\n0.726948 0.845068 0.592802 Ba\n0.651375 0.962143 0.329335 Ba\n0.151374 0.537857 0.670665 Ba\n0.348626 0.462143 0.170665 Ba\n0.848627 0.037857 0.829336 Ba\n0.403290 0.188004 0.613889 Ba\n0.596026 0.499886 0.520964 B\n0.096026 0.000114 0.479036 B\n0.903975 0.500113 0.020964 B\n0.403975 -0.000114 0.979037 B\n0.232853 0.858641 0.738528 B\n0.732854 0.641359 0.261472 B\n0.767148 0.358641 0.761472 B\n0.267147 0.141359 0.238528 B\n0.429802 0.399859 0.504674 N\n0.348819 0.966978 0.715270 N\n0.848820 0.533022 0.284730 N\n0.929803 0.100141 0.495326 N\n0.651182 0.466978 0.784730 N\n0.410139 0.245738 0.258362 N\n0.089861 0.754262 0.758363 N\n0.589862 0.745738 0.241638 N\n0.215527 0.889145 0.463235 N\n0.715527 0.610855 0.536765 N\n0.151181 0.033022 0.215270 N\n0.784474 0.389145 0.036765 N\n0.570199 0.899859 0.995326 N\n0.070198 0.600141 0.004674 N\n0.910140 0.254262 0.741638 N\n0.284474 0.110855 0.963235 N\n",
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],
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{
"id": "jvasp-61681",
"created_at": "2022-09-04T14:35:51.202143Z",
"updated_at": "2022-09-04T14:35:51.202154Z",
"structure_string": "Sr22 Al8 Sn6\n1.0\n0.000000 8.653872 8.653872\n8.653872 -0.000000 8.653872\n8.653872 8.653872 -0.000000\nSr Al Sn\n22 8 6\ndirect\n0.128749 0.128749 0.128749 Sr\n0.871250 0.871250 0.871250 Sr\n0.386247 0.871250 0.871250 Sr\n0.871250 0.386247 0.871250 Sr\n0.871250 0.871250 0.386247 Sr\n0.166346 0.500000 0.833653 Sr\n0.500000 0.833653 0.500000 Sr\n0.128749 0.128749 0.613753 Sr\n0.500000 0.166346 0.500000 Sr\n0.166346 0.833653 0.500000 Sr\n0.500000 0.500000 0.166346 Sr\n0.500000 0.500000 0.833653 Sr\n0.833653 0.166346 0.500000 Sr\n0.166346 0.500000 0.500000 Sr\n0.500000 0.166346 0.833653 Sr\n0.833653 0.500000 0.166346 Sr\n0.128749 0.613753 0.128749 Sr\n0.833653 0.500000 0.500000 Sr\n0.613753 0.128749 0.128749 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.833653 0.166346 Sr\n0.305945 0.305945 0.305945 Al\n0.305945 0.082165 0.305945 Al\n0.305945 0.305945 0.082165 Al\n0.694055 0.694055 0.694055 Al\n0.917835 0.694055 0.694055 Al\n0.694055 0.917835 0.694055 Al\n0.082165 0.305945 0.305945 Al\n0.694055 0.694055 0.917835 Al\n0.216810 0.783190 0.216810 Sn\n0.783190 0.783190 0.216810 Sn\n0.216810 0.216810 0.783190 Sn\n0.783190 0.216810 0.216810 Sn\n0.216810 0.783190 0.783190 Sn\n0.783190 0.216810 0.783190 Sn\n",
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"elements": [
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"volume": 1296.1683045408306,
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{
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