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{
"id": "jvasp-34685",
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{
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"structure_string": "Si4 O8\n1.0\n4.776527 0.000000 0.000000\n0.000000 5.838264 -0.709773\n0.000000 0.108275 5.880253\nSi O\n4 8\ndirect\n0.362714 0.034367 0.348877 Si\n0.862714 0.965632 0.651123 Si\n0.137287 0.651122 0.965632 Si\n0.637287 0.348877 0.034367 Si\n0.398575 0.479442 0.896724 O\n0.601425 0.896723 0.479443 O\n0.000000 0.733866 0.733867 O\n0.898576 0.520557 0.103276 O\n0.101425 0.103275 0.520557 O\n0.250000 0.872745 0.127255 O\n0.500000 0.266132 0.266132 O\n0.750001 0.127254 0.872745 O\n",
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{
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"updated_at": "2022-09-04T14:38:14.999926Z",
"structure_string": "Si12 O24\n1.0\n10.046065 0.000000 -0.000000\n-5.023032 8.700147 -0.000000\n0.000000 -0.000000 10.310752\nSi O\n12 24\ndirect\n0.568049 0.136098 0.604533 Si\n0.568049 0.431951 0.895467 Si\n0.568049 0.136098 0.895467 Si\n0.431951 0.863903 0.104533 Si\n0.431951 0.863903 0.395467 Si\n0.863902 0.431951 0.895467 Si\n0.136098 0.568049 0.104533 Si\n0.431951 0.568049 0.395467 Si\n0.863902 0.431951 0.604533 Si\n0.568049 0.431951 0.604533 Si\n0.431951 0.568049 0.104533 Si\n0.136098 0.568049 0.395467 Si\n0.061975 0.530987 0.250000 O\n0.500000 -0.000000 0.500000 O\n0.754325 0.508650 0.585934 O\n0.245676 0.754325 0.414066 O\n0.469013 0.530987 0.250000 O\n0.754324 0.245675 0.914066 O\n0.491350 0.245675 0.914066 O\n0.500000 -0.000000 0.000000 O\n0.938025 0.469013 0.750000 O\n0.000000 0.500000 0.000000 O\n0.508649 0.754325 0.414066 O\n0.500000 0.500000 0.500000 O\n0.491350 0.245675 0.585934 O\n0.245676 0.754325 0.085934 O\n0.245675 0.491351 0.414066 O\n0.530987 0.061975 0.750000 O\n0.500000 0.500000 0.000000 O\n0.754324 0.245675 0.585934 O\n0.508649 0.754325 0.085934 O\n0.754325 0.508650 0.914066 O\n0.530987 0.469013 0.750000 O\n0.245675 0.491351 0.085934 O\n0.469013 0.938026 0.250000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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{
"id": "jvasp-57544",
"created_at": "2022-09-04T14:36:46.734248Z",
"updated_at": "2022-09-04T14:36:46.734275Z",
"structure_string": "Si6 O12\n1.0\n4.615528 -7.994330 -0.000000\n4.615528 7.994330 0.000000\n-0.000000 0.000000 5.268412\nSi O\n6 12\ndirect\n0.558305 0.116610 0.750000 Si\n0.116610 0.558305 0.250000 Si\n0.441695 0.558305 0.250000 Si\n0.441695 0.883390 0.250000 Si\n0.558305 0.441695 0.750000 Si\n0.883390 0.441695 0.750000 Si\n0.524357 0.762179 0.250000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.475643 0.237822 0.750000 O\n0.762179 0.524357 0.750000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.237822 0.762179 0.250000 O\n0.762179 0.237822 0.750000 O\n0.237822 0.475643 0.250000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Si2 O4\n1.0\n3.809107 -0.000077 -0.000032\n0.000046 3.808720 -0.000089\n0.000020 0.000190 3.808749\nSi O\n2 4\ndirect\n0.809347 0.111254 0.918329 Si\n0.309358 0.611254 0.418326 Si\n0.559358 0.861255 0.668319 O\n0.059351 0.861267 0.168346 O\n0.559351 0.361248 0.168333 O\n0.059353 0.361260 0.668328 O\n",
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{
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"structure_string": "Si4 O8\n1.0\n4.668734 0.000003 1.817261\n2.334342 6.198965 0.908686\n0.085744 0.000061 6.685567\nSi O\n4 8\ndirect\n0.784280 0.353392 0.003703 Si\n0.212025 0.003702 0.646606 Si\n0.862334 0.996296 0.353394 Si\n0.141372 0.646611 0.996303 Si\n0.872600 0.544319 0.059616 O\n0.583085 0.940386 0.544318 O\n0.067779 0.059616 0.455687 O\n0.084427 0.786262 0.198774 O\n0.069457 0.213742 0.801223 O\n0.716796 0.198766 0.213738 O\n0.476532 0.455683 0.940386 O\n0.129299 0.801227 0.786263 O\n",
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{
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"structure_string": "Si24 O48\n1.0\n10.789791 -0.000000 0.000000\n0.000000 10.789791 0.000000\n0.000000 0.000000 10.789791\nSi O\n24 48\ndirect\n0.250000 0.136761 0.363239 Si\n0.636761 0.250000 0.136761 Si\n0.250000 0.863239 0.363239 Si\n0.363239 0.750000 0.136761 Si\n0.863239 0.636761 0.750000 Si\n0.750000 0.863239 0.636761 Si\n0.750000 0.136761 0.363239 Si\n0.636761 0.750000 0.136761 Si\n0.250000 0.863239 0.636761 Si\n0.136761 0.636761 0.250000 Si\n0.750000 0.136761 0.636761 Si\n0.750000 0.863239 0.363239 Si\n0.636761 0.750000 0.863239 Si\n0.136761 0.636761 0.750000 Si\n0.863239 0.363239 0.750000 Si\n0.363239 0.250000 0.136761 Si\n0.636761 0.250000 0.863239 Si\n0.363239 0.250000 0.863239 Si\n0.136761 0.363239 0.250000 Si\n0.250000 0.136761 0.636761 Si\n0.363239 0.750000 0.863239 Si\n0.863239 0.363239 0.250000 Si\n0.136761 0.363239 0.750000 Si\n0.863239 0.636761 0.250000 Si\n0.000000 0.647524 0.184446 O\n0.315554 0.852476 0.500000 O\n0.750000 0.649970 0.149970 O\n0.149970 0.750000 0.649970 O\n0.647524 0.184446 0.000000 O\n0.750000 0.350029 0.850030 O\n0.147524 0.500000 0.684446 O\n0.684446 0.147524 0.500000 O\n0.647524 0.815554 0.000000 O\n0.149970 0.250000 0.350029 O\n0.649970 0.850030 0.750000 O\n0.250000 0.649970 0.149970 O\n0.149970 0.750000 0.350029 O\n0.750000 0.649970 0.850030 O\n0.184446 0.000000 0.647524 O\n0.250000 0.350029 0.850030 O\n0.815554 0.000000 0.647524 O\n0.852476 0.500000 0.684446 O\n0.147524 0.500000 0.315554 O\n0.149970 0.250000 0.649970 O\n0.500000 0.684446 0.147524 O\n0.815554 0.000000 0.352476 O\n0.684446 0.852476 0.500000 O\n0.350029 0.850030 0.250000 O\n0.850030 0.250000 0.649970 O\n0.350029 0.149970 0.750000 O\n0.850030 0.750000 0.350029 O\n0.649970 0.149970 0.750000 O\n0.500000 0.315554 0.147524 O\n0.350029 0.149970 0.250000 O\n0.000000 0.352476 0.815554 O\n0.000000 0.647524 0.815554 O\n0.500000 0.684446 0.852476 O\n0.750000 0.350029 0.149970 O\n0.649970 0.149970 0.250000 O\n0.350029 0.850030 0.750000 O\n0.850030 0.250000 0.350029 O\n0.184446 0.000000 0.352476 O\n0.352476 0.815554 0.000000 O\n0.250000 0.649970 0.850030 O\n0.315554 0.147524 0.500000 O\n0.000000 0.352476 0.184446 O\n0.649970 0.850030 0.250000 O\n0.852476 0.500000 0.315554 O\n0.352476 0.184446 0.000000 O\n0.500000 0.315554 0.852476 O\n0.850030 0.750000 0.649970 O\n0.250000 0.350029 0.149970 O\n",
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{
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{
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"structure_string": "Si4 O8\n1.0\n4.300199 -0.012187 -0.186557\n0.012530 4.268905 0.005724\n0.372337 -0.010157 6.859759\nSi O\n4 8\ndirect\n0.795265 0.961284 0.063019 Si\n0.708199 0.624079 0.439812 Si\n0.295295 0.038721 0.563014 Si\n0.208139 0.375906 0.939787 Si\n0.103688 0.253778 0.719113 O\n0.554970 0.205002 -0.051613 O\n0.043500 0.726595 -0.059078 O\n0.544343 -0.223934 0.638743 O\n0.603726 0.746236 0.219143 O\n0.543560 0.273397 0.440933 O\n0.044302 0.223935 0.138726 O\n0.055020 -0.205007 0.448396 O\n",
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"density_atomic": 0.09506954632692106,
"volume": 126.22338554908967,
"volume_molar": 6.334458291503065,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4888252000000004,
"spacegroup": 7
}
]
}