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{
"id": "jvasp-21031",
"created_at": "2022-09-04T14:37:38.692810Z",
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"structure_string": "Li8 B16 O28\n1.0\n7.871089 -0.035592 -3.164377\n-4.266844 7.008598 -2.154575\n-0.021668 0.035592 8.483329\nLi B O\n8 16 28\ndirect\n0.677905 0.676954 0.691709 Li\n0.514755 0.441709 0.263805 Li\n0.485245 0.749050 0.926954 Li\n0.322096 0.013805 -0.000950 Li\n0.014755 0.513805 0.191709 Li\n0.985245 0.176954 0.499050 Li\n0.177905 0.941709 0.426955 Li\n0.822096 0.249050 0.763805 Li\n0.333094 0.778338 0.220263 B\n0.666907 0.887169 0.445244 B\n0.058076 0.195244 0.028338 B\n0.941925 0.970263 0.137169 B\n0.833094 0.470263 0.528338 B\n0.441924 0.387169 0.720263 B\n0.166906 0.695244 0.637169 B\n0.558076 0.278337 0.945244 B\n0.919766 0.789799 0.533835 B\n0.244036 0.283835 0.864068 B\n0.755965 0.620033 0.039799 B\n0.580235 0.120033 0.364068 B\n0.744036 0.114068 0.033835 B\n0.255964 0.289799 0.370033 B\n0.419766 0.783835 0.539799 B\n0.080235 0.614068 0.870034 B\n0.887691 0.477881 0.723056 O\n0.286991 0.774456 0.375773 O\n0.101317 0.125773 0.338782 O\n0.898683 0.237465 0.024456 O\n0.713009 0.088782 0.487465 O\n0.213009 0.737465 0.838782 O\n0.398683 0.274455 0.987465 O\n0.786991 0.625773 0.524456 O\n0.000000 0.501846 0.501847 O\n0.500000 0.251846 0.751846 O\n0.112309 0.835365 0.590191 O\n0.601317 0.588782 0.875773 O\n0.254825 0.340190 0.727881 O\n0.420974 0.406161 0.548414 O\n0.387692 0.973056 0.227882 O\n0.754826 0.977882 0.090191 O\n0.245175 0.335365 0.223056 O\n0.612309 0.840190 0.585365 O\n0.142253 0.627440 0.048414 O\n0.857748 0.906161 0.485188 O\n0.079026 0.235187 0.877440 O\n0.920975 0.798414 0.156162 O\n0.642253 0.298414 0.377440 O\n0.579026 0.127440 0.985187 O\n0.000000 0.001846 0.001846 O\n0.357748 0.735187 0.656162 O\n0.745175 0.473056 0.085365 O\n0.500000 0.751847 0.251847 O\n",
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"formula_full": "Li8 B16 O28",
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{
"id": "jvasp-32877",
"created_at": "2022-09-04T14:37:55.833085Z",
"updated_at": "2022-09-04T14:37:55.833104Z",
"structure_string": "Ni4 H16 C8 S16 N8\n1.0\n7.032317 0.041532 0.000000\n0.006073 8.448827 0.000000\n0.000000 0.000000 12.732671\nNi H C S N\n4 16 8 16 8\ndirect\n0.861224 0.975495 0.873391 Ni\n0.638776 0.524505 0.373391 Ni\n0.138776 0.024505 0.126609 Ni\n0.361224 0.475495 0.626608 Ni\n0.514194 0.883351 0.853347 H\n0.309650 0.446884 0.912742 H\n0.014194 0.383351 0.646653 H\n0.190350 0.053116 0.412742 H\n0.682876 0.042878 0.487584 H\n0.866224 0.484305 0.736120 H\n0.633777 0.015695 0.236120 H\n0.182875 0.542879 0.012416 H\n0.809651 0.946884 0.587258 H\n0.985806 0.616649 0.353347 H\n0.485806 0.116649 0.146653 H\n0.817125 0.457122 0.987584 H\n0.690349 0.553116 0.087258 H\n0.317124 0.957122 0.512416 H\n0.133776 0.515695 0.263880 H\n0.366223 0.984306 0.763880 H\n0.604021 0.254125 0.261776 C\n0.191726 0.300869 0.025043 C\n0.395979 0.745875 0.738224 C\n0.808274 0.699131 0.974957 C\n0.691726 0.800869 0.474957 C\n0.104020 0.754126 0.238224 C\n0.308274 0.199131 0.525043 C\n0.895980 0.245874 0.761776 C\n0.282578 0.121500 0.985940 S\n0.782578 0.621500 0.514060 S\n0.506679 0.434498 0.228217 S\n0.051523 0.275922 0.133761 S\n0.448477 0.224078 0.633761 S\n0.493321 0.565502 0.771783 S\n0.993322 0.065503 0.728217 S\n0.948477 0.724078 0.866239 S\n0.258883 0.724588 0.627755 S\n0.217422 0.378500 0.485940 S\n0.717422 0.878500 0.014060 S\n0.006678 0.934498 0.271783 S\n0.741117 0.275412 0.372245 S\n0.241116 0.775413 0.127755 S\n0.758884 0.224587 0.872245 S\n0.551523 0.775922 0.366239 S\n0.575433 0.120564 0.210557 N\n0.225271 0.438012 0.978495 N\n0.075432 0.620565 0.289443 N\n0.924568 0.379435 0.710557 N\n0.274729 0.061988 0.478495 N\n0.424567 0.879436 0.789443 N\n0.725271 0.938012 0.521505 N\n0.774729 0.561988 0.021505 N\n",
"nsites": 52,
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"density_atomic": 0.06873703786687813,
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"formula_full": "Ni4 H16 C8 S16 N8",
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},
{
"id": "jvasp-29520",
"created_at": "2022-09-04T14:37:08.153611Z",
"updated_at": "2022-09-04T14:37:08.153627Z",
"structure_string": "Na8 Dy4 Mo4 P4 O32\n1.0\n6.575846 0.000000 2.082795\n2.064097 10.071400 4.905283\n0.009843 0.000936 11.391018\nNa Dy Mo P O\n8 4 4 4 32\ndirect\n0.836033 0.205772 0.602326 Na\n0.336032 0.102326 0.705772 Na\n0.355870 0.705772 0.102326 Na\n0.855870 0.602326 0.205772 Na\n0.144130 0.397674 0.794228 Na\n0.644130 0.294228 0.897674 Na\n0.163968 0.794228 0.397674 Na\n0.663968 0.897674 0.294228 Na\n0.750000 0.320430 0.179570 Dy\n0.250000 0.679570 0.820430 Dy\n0.250000 0.179570 0.320430 Dy\n0.750000 0.820430 0.679570 Dy\n0.821193 0.928808 0.928808 Mo\n0.678808 0.571193 0.571193 Mo\n0.178808 0.071192 0.071193 Mo\n0.321193 0.428808 0.428808 Mo\n0.750000 0.567761 0.932239 P\n0.250000 0.432239 0.067761 P\n0.250000 0.932239 0.567761 P\n0.750000 0.067761 0.432239 P\n0.418305 0.860052 0.654406 O\n0.667390 0.893137 0.850847 O\n0.807987 0.423142 0.939300 O\n0.231463 0.602493 0.361789 O\n0.332610 0.106863 0.149153 O\n0.268537 0.138211 0.897507 O\n0.195744 0.897507 0.138210 O\n0.192013 0.576859 0.060700 O\n0.768537 0.397508 0.638211 O\n0.067237 0.360052 0.154406 O\n0.411375 0.606863 0.649153 O\n0.081696 0.845594 0.639948 O\n0.170427 0.076859 0.560701 O\n0.695744 0.638211 0.397507 O\n0.088625 0.850847 0.893137 O\n0.918305 0.154406 0.360052 O\n0.731464 0.861789 0.102493 O\n0.829574 0.923141 0.439299 O\n0.588626 0.393137 0.350847 O\n0.911375 0.149153 0.106863 O\n0.567237 0.654406 0.860052 O\n0.692013 0.560701 0.076859 O\n0.932764 0.639949 0.845594 O\n0.304256 0.361790 0.602493 O\n0.804256 0.102493 0.861790 O\n0.307987 0.439300 0.923141 O\n0.167390 0.350847 0.393137 O\n0.670427 0.060701 0.576859 O\n0.329573 0.939300 0.423141 O\n0.581696 0.139948 0.345594 O\n0.432764 0.345594 0.139948 O\n0.832611 0.649154 0.606863 O\n",
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"formula_full": "Na8 Dy4 Mo4 P4 O32",
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},
{
"id": "jvasp-21430",
"created_at": "2022-09-04T14:37:30.892977Z",
"updated_at": "2022-09-04T14:37:30.892998Z",
"structure_string": "Ca4 Be8 P8 O32\n1.0\n0.000000 7.845017 0.002359\n8.839444 0.000000 0.000000\n0.000000 -0.068576 -8.319258\nCa Be P O\n4 8 8 32\ndirect\n0.243722 0.586278 0.884149 Ca\n0.756277 0.086278 0.615851 Ca\n0.756278 0.413722 0.115851 Ca\n0.243722 0.913722 0.384149 Ca\n0.570364 0.804584 0.053934 Be\n0.069937 0.922831 0.765016 Be\n0.930063 0.422831 0.734984 Be\n0.930063 0.077169 0.234984 Be\n0.069937 0.577168 0.265016 Be\n0.429636 0.304585 0.446066 Be\n0.429636 0.195415 0.946066 Be\n0.570364 0.695415 0.553934 Be\n0.439005 0.581127 0.260658 P\n0.560995 0.081127 0.239342 P\n0.439004 0.918872 0.760659 P\n0.560995 0.418872 0.739342 P\n0.061380 0.301950 0.443057 P\n0.061379 0.198050 0.943057 P\n0.938620 0.698050 0.556943 P\n0.938621 0.801949 0.056943 P\n0.997248 0.410573 0.308326 O\n0.997248 0.089427 0.808326 O\n0.002752 0.589427 0.691674 O\n0.563654 0.631833 0.126954 O\n0.436346 0.131833 0.373046 O\n0.436346 0.368167 0.873046 O\n0.942463 0.636000 0.120288 O\n0.057537 0.136000 0.379712 O\n0.057537 0.364000 0.879713 O\n0.942463 0.864000 0.620288 O\n0.434347 0.692576 0.402634 O\n0.565653 0.192576 0.097366 O\n0.002752 0.910573 0.191674 O\n0.563654 0.868166 0.626955 O\n0.495207 0.575523 0.687936 O\n0.239503 0.154490 0.001180 O\n0.504793 0.424477 0.312065 O\n0.495207 0.924477 0.187935 O\n0.069041 0.690414 0.418427 O\n0.930959 0.190414 0.081573 O\n0.930959 0.309586 0.581574 O\n0.069040 0.809585 0.918427 O\n0.760497 0.845510 -0.001181 O\n0.239503 0.345510 0.501181 O\n0.565653 0.307424 0.597366 O\n0.760497 0.654490 0.498820 O\n0.741239 0.422604 0.818681 O\n0.741239 0.077396 0.318681 O\n0.258761 0.577396 0.181319 O\n0.258761 0.922604 0.681319 O\n0.504793 0.075523 0.812065 O\n0.434347 0.807424 0.902634 O\n",
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{
"id": "jvasp-98376",
"created_at": "2022-09-04T14:36:12.264092Z",
"updated_at": "2022-09-04T14:36:12.264118Z",
"structure_string": "K8 Pd4 Se40\n1.0\n10.714796 -0.000000 6.140979\n5.348569 11.284944 3.085895\n-0.254061 -0.017738 12.861378\nK Pd Se\n8 4 40\ndirect\n0.981457 0.056159 0.229052 K\n0.518544 0.770948 0.943841 K\n0.037625 0.943841 0.729044 K\n0.733333 0.729052 0.556159 K\n0.210510 0.556159 0.770955 K\n0.462376 0.270955 0.056159 K\n0.766668 0.443841 0.270948 K\n0.289490 0.229044 0.443841 K\n0.124994 0.250000 0.250000 Pd\n0.624996 0.250000 0.250000 Pd\n0.375007 0.750000 0.750000 Pd\n0.875005 0.750000 0.750000 Pd\n0.374674 0.587549 0.898993 Se\n0.811772 0.029905 0.542138 Se\n0.968397 0.309932 0.672413 Se\n0.138785 0.398993 0.087549 Se\n0.495354 0.320701 0.458525 Se\n0.004647 0.541475 0.679298 Se\n0.683939 0.041476 0.320702 Se\n0.125327 0.101007 0.412451 Se\n0.816062 0.679297 0.958523 Se\n0.859194 0.672411 0.190066 Se\n0.917442 0.200624 0.584026 Se\n0.616185 0.042138 0.529905 Se\n0.546118 0.458523 0.179297 Se\n0.297908 0.084026 0.700624 Se\n0.962211 0.412454 0.398993 Se\n0.221673 0.827588 0.309933 Se\n0.841679 0.970095 0.042135 Se\n0.658322 0.957864 0.029904 Se\n0.883816 0.470094 0.957861 Se\n0.774580 0.179298 0.041475 Se\n0.725421 0.958524 0.820701 Se\n0.202093 0.299376 0.915974 Se\n0.537790 0.601006 0.587546 Se\n0.450742 0.190068 0.827587 Se\n0.353910 0.529905 0.457864 Se\n0.640807 0.809933 0.327588 Se\n0.688229 0.457861 0.970095 Se\n0.049259 0.172413 0.809932 Se\n0.531604 0.327587 0.690068 Se\n0.582559 0.415973 0.799376 Se\n0.361216 0.912451 0.601007 Se\n0.278328 0.690066 0.172411 Se\n0.226343 0.898993 0.912454 Se\n0.998527 0.584021 0.299381 Se\n0.146091 0.542135 0.470095 Se\n0.501474 0.700619 0.415979 Se\n0.953884 0.820702 0.541476 Se\n0.273658 0.087546 0.101007 Se\n0.118072 0.799381 0.084021 Se\n0.381929 0.915979 0.200619 Se\n",
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},
{
"id": "jvasp-29923",
"created_at": "2022-09-04T14:37:50.640874Z",
"updated_at": "2022-09-04T14:37:50.640884Z",
"structure_string": "Nb8 P4 S40\n1.0\n7.169928 0.000000 0.000000\n0.000000 13.121661 0.000000\n0.000000 0.000000 13.833313\nNb P S\n8 4 40\ndirect\n0.937695 0.917824 0.255343 Nb\n0.932471 0.208656 0.248162 Nb\n0.062305 0.582176 0.755343 Nb\n0.062305 0.417824 0.244657 Nb\n0.067529 0.291344 0.748162 Nb\n0.932471 0.791344 0.751838 Nb\n0.937695 0.082176 0.744656 Nb\n0.067529 0.708656 0.251838 Nb\n0.618166 0.942513 0.845150 P\n0.381834 0.557487 0.345150 P\n0.381834 0.442513 0.654850 P\n0.618166 0.057487 0.154850 P\n0.913491 0.800271 0.112588 S\n0.431071 0.309508 0.725403 S\n0.902105 0.328960 0.105823 S\n0.575427 0.927749 0.230720 S\n0.424573 0.572251 0.730720 S\n0.438553 0.071640 0.032507 S\n0.110126 0.433984 0.878456 S\n0.902105 0.671039 0.894177 S\n0.148916 0.934260 0.685684 S\n0.097896 0.171039 0.605823 S\n0.424573 0.427749 0.269280 S\n0.086509 0.699729 0.612588 S\n0.561448 0.571640 0.467493 S\n0.086509 0.300271 0.387412 S\n0.179493 0.848654 0.141465 S\n0.097896 0.828960 0.394177 S\n0.568929 0.190492 0.225403 S\n0.169041 0.720979 0.869925 S\n0.431071 0.690492 0.274597 S\n0.101737 0.440243 0.618901 S\n0.169041 0.279021 0.130075 S\n0.820507 0.348654 0.358535 S\n0.851084 0.565740 0.185684 S\n0.110126 0.566016 0.121544 S\n0.889874 0.066016 0.378456 S\n0.561448 0.428360 0.532507 S\n0.830960 0.220979 0.630075 S\n0.830960 0.779021 0.369925 S\n0.148916 0.065740 0.314316 S\n0.568929 0.809508 0.774597 S\n0.575427 0.072251 0.769280 S\n0.851084 0.434260 0.814316 S\n0.898263 0.059757 0.118901 S\n0.898263 0.940243 0.881099 S\n0.179493 0.151346 0.858535 S\n0.101737 0.559757 0.381099 S\n0.438553 0.928360 0.967493 S\n0.820507 0.651346 0.641465 S\n0.889874 0.933984 0.621543 S\n0.913491 0.199729 0.887412 S\n",
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{
"id": "jvasp-24284",
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