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{
"id": "jvasp-86049",
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{
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"updated_at": "2022-09-04T14:35:54.352504Z",
"structure_string": "Al8 O12\n1.0\n0.000000 5.396913 0.002284\n8.286348 0.000000 0.000000\n0.000000 -2.610614 -4.825187\nAl O\n8 12\ndirect\n0.949068 0.956929 0.232656 Al\n0.949068 0.543072 0.732657 Al\n0.533867 0.656277 0.238984 Al\n0.466133 0.156276 0.261017 Al\n0.533868 0.843724 0.738984 Al\n0.466134 0.343724 0.761018 Al\n0.050932 0.456929 0.267345 Al\n0.050933 0.043071 0.767345 Al\n0.825904 0.390378 0.894282 O\n0.749903 0.479167 0.328375 O\n0.250097 0.979167 0.171626 O\n0.680066 0.794760 0.098748 O\n0.319935 0.205240 0.901253 O\n0.319935 0.294760 0.401253 O\n0.250098 0.520833 0.671627 O\n0.174097 0.609622 0.105719 O\n0.680066 0.705240 0.598748 O\n0.174097 0.890379 0.605720 O\n0.749903 0.020833 0.828375 O\n0.825903 0.109622 0.394282 O\n",
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{
"id": "jvasp-97855",
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"updated_at": "2022-09-04T14:35:54.610349Z",
"structure_string": "Rb4 Mn4 F16\n1.0\n5.975074 0.000000 -0.081339\n0.000000 7.810571 0.000000\n0.017458 0.000000 7.860047\nRb Mn F\n4 4 16\ndirect\n0.521498 0.706255 0.252019 Rb\n0.478501 0.206255 0.247981 Rb\n0.478501 0.293745 0.747981 Rb\n0.521498 0.793745 0.752019 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.288340 0.567338 0.546426 F\n0.711660 0.432662 0.453575 F\n0.080667 0.514921 0.233891 F\n0.919332 0.014921 0.266109 F\n0.919332 0.485079 0.766110 F\n0.080667 0.985079 0.733891 F\n0.899139 0.731545 0.499393 F\n0.288997 0.944025 0.446565 F\n0.100860 0.268455 0.500607 F\n0.899139 0.768455 0.999393 F\n0.288339 0.932661 0.046425 F\n0.288997 0.555975 0.946565 F\n0.711002 0.055975 0.553435 F\n0.711660 0.067338 0.953575 F\n0.100860 0.231545 0.000607 F\n0.711002 0.444025 0.053435 F\n",
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{
"id": "jvasp-98536",
"created_at": "2022-09-04T14:35:54.606486Z",
"updated_at": "2022-09-04T14:35:54.606512Z",
"structure_string": "K4 C4 N12 O8\n1.0\n6.456859 0.000000 -2.210324\n0.000000 7.180517 0.000000\n0.058752 0.000000 8.525241\nK C N O\n4 4 12 8\ndirect\n0.850719 0.888706 0.639061 K\n0.850719 0.611295 0.139061 K\n0.149281 0.111294 0.360939 K\n0.149281 0.388706 0.860939 K\n0.439136 0.447700 0.290531 C\n0.560864 0.947700 0.209469 C\n0.439136 0.052301 0.790531 C\n0.560864 0.552301 0.709469 C\n0.357891 0.553354 0.643321 N\n0.291835 0.807207 0.032871 N\n0.642109 0.446646 0.356679 N\n0.291835 0.692794 0.532871 N\n0.260468 0.460552 0.223648 N\n0.357891 0.946646 0.143321 N\n0.642109 0.053354 0.856679 N\n0.739532 0.539449 0.776352 N\n0.260467 0.039449 0.723648 N\n0.708164 0.192793 0.967129 N\n0.708165 0.307207 0.467129 N\n0.739532 0.960552 0.276352 N\n0.581548 0.298502 0.004832 O\n0.581548 0.201499 0.504832 O\n0.418452 0.701499 -0.004832 O\n0.099546 0.712972 0.469588 O\n0.099546 0.787028 0.969588 O\n0.418452 0.798502 0.495168 O\n0.900454 0.212972 0.030413 O\n0.900454 0.287028 0.530413 O\n",
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"density_atomic": 0.07067258899656091,
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"formula_full": "K4 C4 N12 O8",
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{
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"created_at": "2022-09-04T14:35:54.620317Z",
"updated_at": "2022-09-04T14:35:54.620337Z",
"structure_string": "As4 Pb6 O16\n1.0\n6.235729 0.000000 0.000000\n0.000000 6.955679 -2.871833\n0.000000 -0.020066 9.362112\nAs Pb O\n4 6 16\ndirect\n0.018233 0.196947 0.402264 As\n0.518233 0.303052 0.097736 As\n0.481767 0.696947 0.902264 As\n0.981767 0.803052 0.597736 As\n0.416626 0.092600 0.710765 Pb\n0.000000 0.000000 0.000000 Pb\n0.583374 0.907399 0.289235 Pb\n0.083374 0.592601 0.210765 Pb\n0.500000 0.500000 0.500000 Pb\n0.916626 0.407399 0.789235 Pb\n0.971262 0.958205 0.281938 O\n0.466928 0.815105 0.778745 O\n0.966928 0.684894 0.721255 O\n0.528738 0.458205 0.781938 O\n0.028738 0.041795 0.718062 O\n0.471262 0.541795 0.218062 O\n0.204382 0.736596 0.475977 O\n0.242326 0.234544 0.516676 O\n0.795618 0.263404 0.524023 O\n0.295618 0.236595 0.975977 O\n0.742326 0.265455 0.983324 O\n0.033072 0.315105 0.278745 O\n0.257674 0.734544 0.016676 O\n0.757674 0.765455 0.483324 O\n0.704382 0.763404 0.024023 O\n0.533073 0.184895 0.221255 O\n",
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{
"id": "jvasp-98895",
"created_at": "2022-09-04T14:35:54.706894Z",
"updated_at": "2022-09-04T14:35:54.706920Z",
"structure_string": "Re12 S16 Cl4\n1.0\n6.431441 0.028690 0.000000\n-1.764533 9.706998 0.000000\n0.000000 0.000000 11.481762\nRe S Cl\n12 16 4\ndirect\n0.753105 0.067599 0.022259 Re\n0.746895 0.432401 0.522259 Re\n0.253105 0.567599 0.477741 Re\n0.875293 0.833572 0.066035 Re\n0.624708 0.666428 0.566035 Re\n0.592534 0.561847 0.352342 Re\n0.092534 0.061847 0.147658 Re\n0.375292 0.333572 0.433965 Re\n0.124708 0.166428 0.933965 Re\n0.407466 0.438153 0.647658 Re\n0.246896 0.932401 0.977741 Re\n0.907466 0.938153 0.852342 Re\n0.756769 0.529934 0.715948 S\n0.256769 0.029933 0.784052 S\n0.072599 0.334410 0.560536 S\n0.572599 0.834410 0.939463 S\n0.801610 0.161360 0.827204 S\n0.427401 0.165590 0.060537 S\n0.469356 0.773836 0.405998 S\n0.743232 0.970067 0.215948 S\n0.030645 0.726164 0.905998 S\n0.243232 0.470067 0.284052 S\n0.969356 0.273836 0.094002 S\n0.301610 0.661360 0.672795 S\n0.927401 0.665590 0.439463 S\n0.530644 0.226164 0.594002 S\n0.198391 0.838640 0.172795 S\n0.698390 0.338640 0.327205 S\n0.792243 0.892296 0.645686 Cl\n0.707758 0.607704 0.145686 Cl\n0.292243 0.392296 0.854314 Cl\n0.207757 0.107704 0.354314 Cl\n",
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{
"id": "jvasp-99113",
"created_at": "2022-09-04T14:35:54.735780Z",
"updated_at": "2022-09-04T14:35:54.735799Z",
"structure_string": "Cu2 Bi4 Se8 O24\n1.0\n7.213546 0.000000 0.000000\n0.000000 7.680633 -2.921817\n0.000000 -0.013448 10.666387\nCu Bi Se O\n2 4 8 24\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.131006 0.260619 0.406866 Bi\n0.631006 0.239381 0.593134 Bi\n0.868995 0.739381 0.593134 Bi\n0.368994 0.760618 0.406866 Bi\n0.335451 0.884832 0.131041 Se\n0.829932 0.857813 0.307008 Se\n0.670068 0.357813 0.307008 Se\n0.164549 0.384832 0.131041 Se\n0.329932 0.642186 0.692992 Se\n0.835451 0.615167 0.868959 Se\n0.170068 0.142186 0.692992 Se\n0.664550 0.115167 0.868959 Se\n0.115654 0.935838 0.685946 O\n0.374505 0.323598 0.049500 O\n0.384346 0.435838 0.685946 O\n0.007700 0.197139 0.595474 O\n0.992301 0.802860 0.404526 O\n0.507700 0.302861 0.404526 O\n0.386934 0.684930 0.149511 O\n0.647114 0.918357 0.425249 O\n0.613066 0.315069 0.850488 O\n0.886935 0.815069 0.850488 O\n0.625495 0.676401 0.950500 O\n0.781461 0.520638 0.701651 O\n0.718539 0.020638 0.701651 O\n0.884346 0.064161 0.314054 O\n0.113066 0.184930 0.149512 O\n0.352887 0.081642 0.574750 O\n0.218539 0.479361 0.298349 O\n0.125495 0.823598 0.049499 O\n0.492300 0.697139 0.595474 O\n0.852887 0.418357 0.425250 O\n0.147114 0.581642 0.574750 O\n0.281461 0.979361 0.298349 O\n0.874506 0.176402 0.950500 O\n0.615654 0.564161 0.314053 O\n",
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{
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"created_at": "2022-09-04T14:35:54.788752Z",
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"structure_string": "Ba8 H16 O16\n1.0\n9.361918 0.000000 -0.894328\n0.000000 7.897706 0.000000\n0.044436 0.000000 6.792637\nBa H O\n8 16 16\ndirect\n0.895108 0.144782 0.251655 Ba\n0.395108 0.355219 0.751656 Ba\n0.104893 0.855219 0.748345 Ba\n0.604893 0.644782 0.248345 Ba\n0.317909 0.050266 0.281624 Ba\n0.817909 0.449734 0.781624 Ba\n0.682092 0.949734 0.718376 Ba\n0.182091 0.550266 0.218376 Ba\n0.092638 0.238554 0.555461 H\n0.592638 0.261446 0.055461 H\n0.907363 0.761446 0.444539 H\n0.407363 0.738555 0.944539 H\n0.120398 0.274177 0.936530 H\n0.379602 0.774177 0.563470 H\n0.879602 0.725823 0.063470 H\n0.620398 0.225823 0.436530 H\n0.977020 0.148819 0.780830 H\n0.522981 0.648818 0.719170 H\n0.022981 0.851183 0.219170 H\n0.882508 0.539997 0.313270 H\n0.382508 0.960004 0.813270 H\n0.117492 0.460003 0.686731 H\n0.617492 0.039997 0.186730 H\n0.477019 0.351181 0.280830 H\n0.841087 0.702179 0.525724 O\n0.341087 0.797822 0.025724 O\n0.605519 0.339883 0.490602 O\n0.105519 0.160118 0.990603 O\n0.394482 0.660118 0.509398 O\n0.894481 0.839883 0.009397 O\n0.417293 0.361553 0.152341 O\n0.880651 0.494084 0.177819 O\n0.582708 0.638448 0.847659 O\n0.082708 0.861553 0.347659 O\n0.380651 0.005917 0.677821 O\n0.119349 0.505917 0.822180 O\n0.619349 0.994084 0.322180 O\n0.658914 0.202178 0.974276 O\n0.917293 0.138448 0.652341 O\n0.158914 0.297822 0.474276 O\n",
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{
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"created_at": "2022-09-04T14:35:54.874600Z",
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"structure_string": "Th4 Te8 O24\n1.0\n7.230619 0.044980 0.000000\n-2.274013 6.988747 0.000000\n0.000000 0.000000 11.325364\nTh Te O\n4 8 24\ndirect\n0.740636 0.992171 0.908227 Th\n0.759365 0.507829 0.408227 Th\n0.259365 0.007829 0.091773 Th\n0.240635 0.492171 0.591772 Th\n0.264754 0.527902 0.925081 Te\n0.764754 0.027902 0.574919 Te\n0.735247 0.472098 0.074919 Te\n0.235247 0.972098 0.425081 Te\n0.245446 0.451936 0.273741 Te\n0.745446 0.951936 0.226259 Te\n0.754555 0.548065 0.726258 Te\n0.254554 0.048065 0.773741 Te\n0.821884 0.307737 0.970829 O\n0.686165 0.117689 0.718939 O\n0.813835 0.382312 0.218939 O\n0.963378 0.832077 0.408332 O\n0.536623 0.667923 0.908332 O\n0.036622 0.167923 0.591668 O\n0.463378 0.332077 0.091668 O\n0.321884 0.807737 0.529170 O\n0.178116 0.692263 0.029171 O\n0.678116 0.192263 0.470829 O\n0.426845 0.030447 0.899393 O\n0.910194 0.919686 0.098829 O\n0.573156 0.969554 0.100607 O\n0.926845 0.530447 0.600607 O\n0.089806 0.080314 0.901170 O\n0.410194 0.419686 0.401170 O\n0.186165 0.617689 0.781060 O\n0.589807 0.580315 0.598829 O\n0.356785 0.315413 0.745703 O\n0.143215 0.184588 0.245704 O\n0.643215 0.684588 0.254296 O\n0.856786 0.815413 0.754296 O\n0.073156 0.469553 0.399393 O\n0.313835 0.882312 0.281061 O\n",
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{
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