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{
"id": "jvasp-34509",
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"structure_string": "Si8 O16\n1.0\n6.941792 0.000000 -2.454295\n-3.470897 6.011770 -2.454295\n0.000000 0.000000 7.362884\nSi O\n8 16\ndirect\n0.781630 0.500000 0.000001 Si\n0.281631 0.281631 0.281631 Si\n0.218369 0.500000 0.000000 Si\n0.718368 0.718369 0.718369 Si\n-0.000000 0.781631 0.500000 Si\n0.500000 -0.000000 0.218369 Si\n-0.000000 0.218369 0.500000 Si\n0.500000 -0.000000 0.781631 Si\n-0.000000 -0.000000 0.500000 O\n0.067540 0.250000 0.317540 O\n0.500000 0.500000 0.500000 O\n0.682459 0.932460 0.750000 O\n0.750000 0.182460 0.432460 O\n0.250000 0.317540 0.067541 O\n0.182459 0.432460 0.750000 O\n0.432459 0.750000 0.182460 O\n-0.000000 0.500000 0.000000 O\n0.317540 0.067540 0.250000 O\n0.500000 -0.000000 0.000000 O\n0.250000 0.817540 0.567541 O\n0.932459 0.750000 0.682460 O\n0.749999 0.682460 0.932460 O\n0.567540 0.250000 0.817540 O\n0.817540 0.567540 0.250001 O\n",
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{
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"structure_string": "Si8 O16\n1.0\n7.071264 0.000000 0.000000\n-0.000000 7.071264 -0.000000\n0.000000 0.000000 7.071264\nSi O\n8 16\ndirect\n0.975434 0.524565 0.475434 Si\n0.524565 0.475434 0.975434 Si\n0.475434 0.975434 0.524565 Si\n0.024565 0.024565 0.024565 Si\n0.711377 0.788622 0.211377 Si\n0.788622 0.211377 0.711377 Si\n0.211377 0.711377 0.788622 Si\n0.288623 0.288623 0.288623 Si\n0.028521 0.638439 0.668963 O\n0.638439 0.668963 0.028521 O\n0.843704 0.656295 0.343705 O\n0.656295 0.343705 0.843704 O\n0.343705 0.843704 0.656295 O\n0.156295 0.156295 0.156295 O\n0.528521 0.861560 0.331036 O\n0.168963 0.471479 0.361560 O\n0.471479 0.361560 0.168963 O\n0.971478 0.138439 0.831036 O\n0.668963 0.028521 0.638439 O\n0.138439 0.831036 0.971478 O\n0.361560 0.168963 0.471479 O\n0.861560 0.331036 0.528521 O\n0.331036 0.528521 0.861560 O\n0.831036 0.971478 0.138439 O\n",
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{
"id": "jvasp-98531",
"created_at": "2022-09-04T14:35:46.604646Z",
"updated_at": "2022-09-04T14:35:46.604680Z",
"structure_string": "Si8 O16\n1.0\n7.272481 -0.154272 -2.072564\n-4.178878 5.953969 -2.072564\n0.082290 0.154272 7.561595\nSi O\n8 16\ndirect\n0.478300 0.133539 0.227379 Si\n0.906161 0.250921 0.772623 Si\n0.133539 0.478300 0.227379 Si\n0.866461 0.093839 0.344761 Si\n0.749079 0.521700 0.655241 Si\n0.250921 0.906161 0.772623 Si\n0.093839 0.866461 0.344761 Si\n0.521700 0.749079 0.655240 Si\n0.645964 0.394963 0.404214 O\n0.251085 -0.000000 0.251085 O\n0.394963 0.645964 0.404213 O\n0.009249 0.605037 0.251001 O\n0.748915 -0.000000 0.748916 O\n0.758248 0.354036 0.749000 O\n0.590743 0.590743 0.713916 O\n-0.000000 0.748915 0.748915 O\n0.990750 0.241752 0.595788 O\n0.409257 0.123172 0.000000 O\n0.876828 0.876828 0.286086 O\n0.605037 0.009250 0.251002 O\n0.123172 0.409257 0.000000 O\n-0.000000 0.251085 0.251085 O\n0.241751 0.990750 0.595788 O\n0.354036 0.758248 0.749000 O\n",
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},
{
"id": "jvasp-34375",
"created_at": "2022-09-04T14:37:19.248166Z",
"updated_at": "2022-09-04T14:37:19.248189Z",
"structure_string": "Si8 O16\n1.0\n8.225999 0.000000 0.000000\n-0.000000 8.225999 0.000000\n0.000000 0.000000 5.563821\nSi O\n8 16\ndirect\n0.313431 0.931221 0.500000 Si\n0.686569 0.931221 0.000000 Si\n0.686569 0.068780 0.500000 Si\n0.931221 0.686569 0.000000 Si\n0.931221 0.313431 0.500000 Si\n0.313431 0.068780 0.000000 Si\n0.068780 0.313431 0.000000 Si\n0.068780 0.686569 0.500000 Si\n0.764162 0.000000 0.250000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.235838 0.250000 O\n0.764162 0.000000 0.750000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.764162 0.250000 O\n0.000000 0.764162 0.750000 O\n0.733716 0.266284 0.500000 O\n0.235838 0.000000 0.750000 O\n0.266284 0.266284 0.000000 O\n0.500000 0.000000 0.500000 O\n0.235838 0.000000 0.250000 O\n0.733716 0.733716 0.000000 O\n0.266284 0.733716 0.500000 O\n0.000000 0.235838 0.750000 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "jvasp-152",
"created_at": "2022-09-04T14:38:09.259287Z",
"updated_at": "2022-09-04T14:38:09.259310Z",
"structure_string": "Si8 P16\n1.0\n3.479872 0.000000 0.000000\n0.000000 9.945997 0.000000\n0.000000 0.000000 14.479183\nSi P\n8 16\ndirect\n0.000000 0.589442 0.852555 Si\n0.000000 0.410559 0.147445 Si\n0.000000 0.089442 0.647445 Si\n0.000000 0.910559 0.352555 Si\n0.500000 0.806640 0.733784 Si\n0.500000 0.193360 0.266216 Si\n0.500000 0.306640 0.766216 Si\n0.500000 0.693360 0.233784 Si\n0.500000 0.047249 0.388408 P\n0.500000 0.952751 0.611592 P\n0.500000 0.610612 0.386886 P\n0.500000 0.389388 0.613114 P\n0.500000 0.110612 0.113114 P\n0.500000 0.889388 0.886886 P\n0.000000 0.728628 0.450663 P\n0.000000 0.834823 0.204387 P\n0.000000 0.228628 0.049337 P\n0.000000 0.771372 0.950663 P\n0.500000 0.452751 0.888408 P\n0.000000 0.165177 0.795613 P\n0.000000 0.334823 0.295613 P\n0.000000 0.665177 0.704387 P\n0.000000 0.271372 0.549337 P\n0.500000 0.547250 0.111592 P\n",
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"elements": [
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"density": 2.3866309658013756,
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{
"id": "jvasp-88928",
"created_at": "2022-09-04T14:36:01.388575Z",
"updated_at": "2022-09-04T14:36:01.388610Z",
"structure_string": "Si8 Sb8 Pt8\n1.0\n6.415064 0.000000 0.000000\n-0.000000 6.430901 0.000000\n0.000000 0.000000 11.684886\nSi Sb Pt\n8 8 8\ndirect\n0.855457 0.266172 0.426461 Si\n0.355457 0.233827 0.573539 Si\n0.144543 0.766172 0.073539 Si\n0.644542 0.733827 0.926462 Si\n0.144543 0.733827 0.573539 Si\n0.644542 0.766172 0.426461 Si\n0.855457 0.233827 0.926462 Si\n0.355457 0.266172 0.073539 Si\n0.617766 0.007474 0.173263 Sb\n0.117766 0.492526 0.826737 Sb\n0.382233 0.507474 0.326737 Sb\n0.882233 0.992526 0.673263 Sb\n0.382233 0.992526 0.826737 Sb\n0.882233 0.507474 0.173263 Sb\n0.617766 0.492526 0.673263 Sb\n0.117766 0.007474 0.326737 Sb\n0.512885 0.119922 0.393655 Pt\n0.012886 0.380078 0.606345 Pt\n0.487114 0.619922 0.106345 Pt\n0.987114 0.880078 0.893655 Pt\n0.487114 0.880078 0.606345 Pt\n0.987114 0.619922 0.393655 Pt\n0.512885 0.380078 0.893655 Pt\n0.012886 0.119922 0.106345 Pt\n",
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],
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},
{
"id": "jvasp-58996",
"created_at": "2022-09-04T14:38:32.715414Z",
"updated_at": "2022-09-04T14:38:32.715441Z",
"structure_string": "Si8 Te8 Pt8\n1.0\n6.243283 0.000000 0.000000\n0.000000 6.340318 0.000000\n0.000000 0.000000 12.674224\nSi Te Pt\n8 8 8\ndirect\n0.871719 0.331068 0.438708 Si\n0.371719 0.168932 0.561292 Si\n0.628281 0.668932 0.938708 Si\n0.371719 0.331068 0.061292 Si\n0.871719 0.168932 0.938708 Si\n0.628281 0.831069 0.438708 Si\n0.128281 0.668932 0.561292 Si\n0.128281 0.831069 0.061292 Si\n0.381881 0.918598 0.825134 Te\n0.118119 0.418598 0.825134 Te\n0.118119 0.081402 0.325134 Te\n0.618119 0.418598 0.674866 Te\n0.881881 0.581403 0.174866 Te\n0.381881 0.581403 0.325134 Te\n0.881881 0.918598 0.674866 Te\n0.618119 0.081402 0.174866 Te\n0.526589 0.314800 0.887314 Pt\n0.026589 0.185201 0.112685 Pt\n0.473411 0.814800 0.612685 Pt\n0.973411 0.685201 0.387315 Pt\n0.473411 0.685201 0.112685 Pt\n0.973411 0.814800 0.887314 Pt\n0.526589 0.185201 0.387315 Pt\n0.026589 0.314800 0.612685 Pt\n",
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"elements": [
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{
"id": "jvasp-21475",
"created_at": "2022-09-04T14:38:26.902126Z",
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"structure_string": "Sm10 Co4\n1.0\n5.928138 0.000000 -2.327273\n-0.292893 6.898978 -0.746070\n0.013896 0.014061 8.749246\nSm Co\n10 4\ndirect\n0.354942 0.684159 0.570614 Sm\n0.784330 0.815842 0.429388 Sm\n0.645059 0.315842 0.429388 Sm\n0.215672 0.184158 0.570613 Sm\n0.570526 0.750000 0.000000 Sm\n0.429475 0.250000 0.000000 Sm\n0.799714 0.084828 0.810578 Sm\n0.989137 0.415172 0.189423 Sm\n0.200287 0.915172 0.189423 Sm\n0.010865 0.584828 0.810578 Sm\n0.596524 0.426783 0.778657 Co\n0.817867 0.073217 0.221344 Co\n0.403477 0.573217 0.221344 Co\n0.182134 0.926783 0.778657 Co\n",
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{
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{
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{
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{
"id": "jvasp-37585",
"created_at": "2022-09-04T14:38:35.778636Z",
"updated_at": "2022-09-04T14:38:35.778656Z",
"structure_string": "Sm12 Co4\n1.0\n6.296137 -0.000000 0.000000\n-0.000000 6.968986 0.000000\n0.000000 0.000000 9.649086\nSm Co\n12 4\ndirect\n0.146080 0.457960 0.750000 Sm\n0.175044 0.173462 0.068351 Sm\n0.175044 0.173462 0.431649 Sm\n0.324956 0.673463 0.068351 Sm\n0.324956 0.673463 0.431649 Sm\n0.353920 0.957960 0.750000 Sm\n0.646081 0.042041 0.250000 Sm\n0.675045 0.326538 0.568352 Sm\n0.675045 0.326538 0.931649 Sm\n0.824956 0.826538 0.568352 Sm\n0.824956 0.826538 0.931649 Sm\n0.853920 0.542041 0.250000 Sm\n0.059464 0.885558 0.250000 Co\n0.440536 0.385557 0.250000 Co\n0.559464 0.614443 0.750000 Co\n0.940536 0.114443 0.750000 Co\n",
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]
}