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{
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{
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{
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"structure_string": "K8 Mo4 S8 O40\n1.0\n12.760451 0.000000 0.000000\n0.000000 9.104792 0.000000\n0.000000 3.479803 8.476729\nK Mo S O\n8 4 8 40\ndirect\n0.015883 0.199522 0.195536 K\n0.880459 0.294145 0.678231 K\n0.984117 0.800478 0.804464 K\n0.484117 0.699522 0.195536 K\n0.119541 0.705855 0.321769 K\n0.619541 0.794145 0.678231 K\n0.515883 0.300478 0.804464 K\n0.380459 0.205855 0.321769 K\n0.332452 0.846247 0.778418 Mo\n0.167548 0.346247 0.778418 Mo\n0.667548 0.153753 0.221582 Mo\n0.832452 0.653753 0.221582 Mo\n0.799867 0.472992 0.963294 S\n0.299867 0.027008 0.036706 S\n0.642123 0.373873 0.430896 S\n0.700133 0.972992 0.963294 S\n0.200133 0.527008 0.036706 S\n0.142123 0.126127 0.569104 S\n0.857877 0.873873 0.430896 S\n0.357877 0.626127 0.569104 S\n0.602803 0.981146 0.336072 O\n0.181132 0.139606 0.415134 O\n0.704770 0.825145 0.111312 O\n0.933325 0.786914 0.139964 O\n0.795230 0.325145 0.111312 O\n0.191695 0.268587 0.600039 O\n0.528057 0.365694 0.422183 O\n0.808305 0.731413 0.399961 O\n0.604366 0.970823 0.876459 O\n0.295230 0.174855 0.888688 O\n0.179395 0.976178 0.698898 O\n0.296140 0.499127 0.128610 O\n0.820605 0.023822 0.301102 O\n0.812910 0.612728 0.020445 O\n0.028057 0.134306 0.577817 O\n0.471943 0.634306 0.577817 O\n0.312910 0.887272 0.979555 O\n0.203860 0.999127 0.128610 O\n0.895634 0.470823 0.876459 O\n0.687090 0.112728 0.020445 O\n0.691695 0.231413 0.399961 O\n0.066675 0.213086 0.860036 O\n0.971943 0.865694 0.422183 O\n0.796140 0.000873 0.871390 O\n0.308305 0.768587 0.600039 O\n0.397197 0.018854 0.663928 O\n0.897197 0.481146 0.336072 O\n0.320605 0.476178 0.698898 O\n0.395634 0.029177 0.123541 O\n0.679395 0.523822 0.301102 O\n0.102803 0.518854 0.663928 O\n0.204770 0.674855 0.888688 O\n0.433325 0.713086 0.860036 O\n0.818868 0.860394 0.584866 O\n0.318868 0.639606 0.415134 O\n0.187090 0.387272 0.979555 O\n0.681132 0.360394 0.584866 O\n0.104366 0.529177 0.123541 O\n0.703860 0.500873 0.871390 O\n0.566675 0.286914 0.139964 O\n",
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{
"id": "mp-754678",
"created_at": "2022-09-04T14:48:30.580968Z",
"structure_string": "Ba1 Ta1 O3\n1.0\n4.130846 0.000000 0.000000\n0.000000 4.130846 0.000000\n0.000000 0.000000 4.130846\nBa Ta O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:48:30.576278Z",
"structure_string": "Fe4 Mo8 S16\n1.0\n3.245033 5.923911 0.000000\n-3.245033 5.923911 0.000000\n0.000000 5.556598 11.764501\nFe Mo S\n4 8 16\ndirect\n0.535059 0.281263 0.450308 Fe\n0.281263 0.535059 0.950308 Fe\n0.800578 0.038580 0.948707 Fe\n0.038580 0.800578 0.448707 Fe\n0.869331 0.652036 0.706104 Mo\n0.652036 0.869331 0.206104 Mo\n0.462323 0.670250 0.692971 Mo\n0.670250 0.462323 0.192971 Mo\n0.932318 0.214987 0.689670 Mo\n0.214987 0.932318 0.189670 Mo\n0.400244 0.107746 0.707305 Mo\n0.107746 0.400244 0.207305 Mo\n0.824017 0.579746 0.550179 S\n0.579746 0.824017 0.050179 S\n0.506645 0.745280 0.848226 S\n0.745280 0.506645 0.348226 S\n0.030280 0.782031 0.807540 S\n0.782031 0.030280 0.307540 S\n0.302171 0.539980 0.590686 S\n0.539980 0.302171 0.090686 S\n0.531355 0.263439 0.815654 S\n0.263439 0.531355 0.315654 S\n0.801254 0.059350 0.583553 S\n0.059350 0.801254 0.083553 S\n0.316457 0.056340 0.559507 S\n0.056340 0.316457 0.059507 S\n0.015781 0.265158 0.838589 S\n0.265158 0.015781 0.338589 S\n",
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{
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{
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"structure_string": "Bi2 H10 N6 O18\n1.0\n6.832990 0.000000 0.000000\n2.556176 8.455349 0.000000\n1.472082 0.487779 10.752103\nBi H N O\n2 10 6 18\ndirect\n0.307833 0.295486 0.310794 Bi\n0.692167 0.704514 0.689206 Bi\n0.075758 0.473920 0.336332 H\n0.924242 0.526080 0.663668 H\n0.682234 0.179593 0.079099 H\n0.317766 0.820407 0.920901 H\n0.725740 0.215288 0.451540 H\n0.274260 0.784712 0.548460 H\n0.125529 0.205826 0.910376 H\n0.874471 0.794174 0.089624 H\n0.131547 0.418633 0.123543 H\n0.868453 0.581367 0.876457 H\n0.295510 0.187546 0.566587 N\n0.704490 0.812454 0.433413 N\n0.145832 0.079896 0.196499 N\n0.854168 0.920104 0.803501 N\n0.499897 0.583458 0.203177 N\n0.500103 0.416542 0.796823 N\n0.034486 0.196540 0.264898 O\n0.965514 0.803460 0.735102 O\n0.293890 0.332768 0.536802 O\n0.706110 0.667232 0.463198 O\n0.600245 0.661267 0.136204 O\n0.399755 0.338733 0.863796 O\n0.573255 0.429832 0.207792 O\n0.426745 0.570168 0.792208 O\n0.331303 0.644940 0.265948 O\n0.668697 0.355060 0.734052 O\n0.279966 0.105165 0.474859 O\n0.720034 0.894835 0.525141 O\n0.072336 0.982171 0.162617 O\n0.927664 0.017829 0.837383 O\n0.311050 0.128252 0.671456 O\n0.688950 0.871748 0.328544 O\n0.336745 0.075619 0.167235 O\n0.663255 0.924381 0.832765 O\n",
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{
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{
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