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{
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{
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{
"id": "oqmd-648279",
"created_at": "2022-09-04T15:33:35.193512Z",
"updated_at": "2022-09-04T15:33:35.193539Z",
"structure_string": "Re12 Te32 Cl12\n1.0\n18.597289 0.000000 0.000000\n0.000000 8.634956 0.000000\n0.000000 0.000000 10.833359\nCl Re Te\n12 12 32\ndirect\n0.779392 0.105226 0.001764 Cl\n0.220608 0.894774 0.001764 Cl\n0.795640 0.059001 0.325717 Cl\n0.204360 0.941000 0.325717 Cl\n0.246693 0.326966 0.338785 Cl\n0.753306 0.673034 0.338785 Cl\n0.746694 0.173034 0.661214 Cl\n0.253306 0.826967 0.661214 Cl\n0.295640 0.440999 0.674282 Cl\n0.704360 0.559001 0.674282 Cl\n0.279392 0.394773 0.998236 Cl\n0.720608 0.605226 0.998236 Cl\n0.516081 0.153130 0.068890 Re\n0.483919 0.846871 0.068890 Re\n0.399595 0.047895 0.193213 Re\n0.600405 0.952106 0.193213 Re\n0.515703 0.152706 0.317794 Re\n0.484296 0.847294 0.317794 Re\n0.015703 0.347294 0.682206 Re\n0.984297 0.652706 0.682206 Re\n0.899595 0.452105 0.806786 Re\n0.100405 0.547895 0.806786 Re\n0.016081 0.346870 0.931109 Re\n0.983919 0.653130 0.931109 Re\n0.898062 0.450677 0.057510 Te\n0.101938 0.549323 0.057510 Te\n0.054397 0.127822 0.101152 Te\n0.945603 0.872177 0.101152 Te\n0.256002 0.122411 0.178731 Te\n0.743998 0.877590 0.178731 Te\n0.429662 0.352185 0.193331 Te\n0.570339 0.647815 0.193331 Te\n0.635681 0.253305 0.193795 Te\n0.364319 0.746695 0.193795 Te\n0.993846 0.272722 0.308004 Te\n0.006154 0.727278 0.308004 Te\n0.396986 0.047779 0.443263 Te\n0.603014 0.952221 0.443263 Te\n0.554557 0.373489 0.485336 Te\n0.445443 0.626510 0.485336 Te\n0.054557 0.126510 0.514663 Te\n0.945444 0.873489 0.514663 Te\n0.896986 0.452221 0.556737 Te\n0.103014 0.547779 0.556737 Te\n0.493846 0.227279 0.691996 Te\n0.506154 0.772722 0.691996 Te\n0.135682 0.246695 0.806205 Te\n0.864318 0.753306 0.806205 Te\n0.929661 0.147814 0.806670 Te\n0.070339 0.852185 0.806670 Te\n0.756002 0.377590 0.821269 Te\n0.243998 0.622411 0.821269 Te\n0.554397 0.372177 0.898848 Te\n0.445603 0.627823 0.898848 Te\n0.398062 0.049323 0.942490 Te\n0.601938 0.950678 0.942490 Te\n",
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{
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"created_at": "2022-09-04T15:33:15.238123Z",
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"structure_string": "K20 Hg28\n1.0\n10.338547 0.000000 0.000000\n0.000000 19.815200 0.000000\n0.000000 0.000000 8.490702\nHg K\n28 20\ndirect\n0.876073 0.250000 0.000000 Hg\n0.123927 0.750000 0.000000 Hg\n0.194889 0.029051 0.065322 Hg\n0.805111 0.529051 0.065322 Hg\n0.370386 0.357004 0.067427 Hg\n0.629614 0.857005 0.067427 Hg\n0.680486 0.381495 0.068023 Hg\n0.319515 0.881495 0.068023 Hg\n0.680486 0.381495 0.431977 Hg\n0.319515 0.881495 0.431977 Hg\n0.370386 0.357004 0.432573 Hg\n0.629614 0.857005 0.432573 Hg\n0.194889 0.029051 0.434678 Hg\n0.805111 0.529051 0.434678 Hg\n0.876073 0.250000 0.500000 Hg\n0.123927 0.750000 0.500000 Hg\n0.194889 0.470949 0.565322 Hg\n0.805111 0.970949 0.565322 Hg\n0.370386 0.142995 0.567428 Hg\n0.629614 0.642996 0.567428 Hg\n0.680486 0.118505 0.568023 Hg\n0.319515 0.618505 0.568023 Hg\n0.680486 0.118505 0.931977 Hg\n0.319515 0.618505 0.931977 Hg\n0.370386 0.142995 0.932573 Hg\n0.629614 0.642996 0.932573 Hg\n0.194889 0.470949 0.934678 Hg\n0.805111 0.970949 0.934678 Hg\n0.518485 0.017266 0.250001 K\n0.894062 0.087886 0.250001 K\n0.186061 0.209044 0.250001 K\n0.575329 0.228475 0.250001 K\n0.005740 0.389709 0.250001 K\n0.481515 0.517266 0.250001 K\n0.105938 0.587886 0.250001 K\n0.813939 0.709044 0.250001 K\n0.424670 0.728474 0.250001 K\n0.994260 0.889709 0.250001 K\n0.005740 0.110291 0.750000 K\n0.575329 0.271526 0.750000 K\n0.186061 0.290956 0.750000 K\n0.894062 0.412114 0.750000 K\n0.518485 0.482734 0.750000 K\n0.994260 0.610291 0.750000 K\n0.424670 0.771525 0.750000 K\n0.813939 0.790956 0.750000 K\n0.105938 0.912114 0.750000 K\n0.481515 0.982734 0.750000 K\n",
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{
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"structure_string": "K12 Ta8 S44\n1.0\n0.000000 7.972583 0.000000\n-2.252769 0.000000 12.165086\n17.926834 -3.986291 -0.014311\nK S Ta\n12 44 8\ndirect\n0.353464 0.094113 0.065389 K\n0.711925 0.594114 0.065390 K\n0.342736 0.829262 0.234815 K\n0.892079 0.329262 0.234815 K\n0.362705 0.255937 0.419561 K\n0.056857 0.755937 0.419562 K\n0.943144 0.244063 0.580439 K\n0.637295 0.744063 0.580439 K\n0.657265 0.170738 0.765185 K\n0.107920 0.670738 0.765185 K\n0.288074 0.405886 0.934610 K\n0.646536 0.905886 0.934610 K\n0.100116 0.429245 0.076821 S\n0.976706 0.929244 0.076821 S\n0.532549 0.853969 0.090336 S\n0.557786 0.353968 0.090336 S\n0.247060 0.576589 0.101376 S\n0.854316 0.076589 0.101376 S\n0.278826 0.271607 0.210924 S\n0.932098 0.771607 0.210925 S\n0.664366 0.094192 0.238514 S\n0.574147 0.594192 0.238514 S\n0.080546 0.050884 0.263591 S\n0.183045 0.550884 0.263591 S\n0.500136 0.355646 0.280768 S\n0.780632 0.855647 0.280769 S\n0.754417 0.552009 0.328574 S\n0.574158 0.052009 0.328575 S\n0.174579 0.998051 0.366834 S\n0.192255 0.498052 0.366835 S\n0.942258 0.258861 0.405094 S\n0.462836 0.758861 0.405094 S\n0.872943 0.003005 0.468920 S\n0.595976 0.503004 0.468920 S\n0.127057 0.996995 0.531080 S\n0.404023 0.496995 0.531080 S\n0.537163 0.241139 0.594906 S\n0.057743 0.741138 0.594906 S\n0.825420 0.001948 0.633165 S\n0.807745 0.501948 0.633165 S\n0.245584 0.447991 0.671425 S\n0.425842 0.947992 0.671426 S\n0.499864 0.644354 0.719231 S\n0.219369 0.144353 0.719232 S\n0.919454 0.949116 0.736409 S\n0.816956 0.449116 0.736410 S\n0.425851 0.405809 0.761486 S\n0.335635 0.905808 0.761486 S\n0.067900 0.228392 0.789075 S\n0.721174 0.728393 0.789075 S\n0.752939 0.423412 0.898624 S\n0.145685 0.923411 0.898624 S\n0.467450 0.146032 0.909664 S\n0.442214 0.646031 0.909664 S\n0.899884 0.570755 0.923179 S\n0.023295 0.070755 0.923179 S\n0.380693 0.427372 0.165111 Ta\n0.784417 0.927371 0.165111 Ta\n0.893334 0.079652 0.355031 Ta\n0.461697 0.579652 0.355031 Ta\n0.538302 0.420349 0.644968 Ta\n0.106666 0.920349 0.644968 Ta\n0.619308 0.572629 0.834889 Ta\n0.215582 0.072629 0.834890 Ta\n",
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{
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"created_at": "2022-09-04T15:30:58.461630Z",
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"structure_string": "Cs12 Cu4 Te4 S36\n1.0\n0.000000 0.000000 12.109700\n10.737476 -6.679098 0.000000\n10.737476 6.679098 0.000000\nCs Cu S Te\n12 4 36 4\ndirect\n0.165882 0.962284 0.037716 Cs\n0.677425 0.644750 0.051225 Cs\n0.177425 0.551225 0.144750 Cs\n0.677425 0.948775 0.355250 Cs\n0.177425 0.855250 0.448775 Cs\n0.665882 0.537716 0.462284 Cs\n0.334118 0.462284 0.537716 Cs\n0.822575 0.144750 0.551225 Cs\n0.322575 0.051225 0.644750 Cs\n0.822575 0.448775 0.855250 Cs\n0.322575 0.355250 0.948775 Cs\n0.834118 0.037716 0.962284 Cs\n0.500000 0.067870 0.067870 Cu\n0.000000 0.432130 0.432130 Cu\n0.000000 0.567870 0.567870 Cu\n0.500000 0.932130 0.932130 Cu\n0.646087 0.185785 0.062969 S\n0.597722 0.336418 0.075073 S\n0.954412 0.752994 0.076123 S\n0.584375 0.879761 0.120239 S\n0.902278 0.424927 0.163582 S\n0.353913 0.062969 0.185785 S\n0.917417 0.248929 0.200002 S\n0.954412 0.923877 0.247006 S\n0.082583 0.200002 0.248929 S\n0.582583 0.299999 0.251071 S\n0.454412 0.576123 0.252994 S\n0.417417 0.251071 0.299999 S\n0.853913 0.437032 0.314216 S\n0.402278 0.075073 0.336418 S\n0.084375 0.620239 0.379761 S\n0.454412 0.747006 0.423877 S\n0.097722 0.163582 0.424927 S\n0.146087 0.314216 0.437032 S\n0.853913 0.685785 0.562969 S\n0.902278 0.836419 0.575073 S\n0.545588 0.252994 0.576123 S\n0.915625 0.379761 0.620239 S\n0.597722 0.924927 0.663582 S\n0.146087 0.562969 0.685785 S\n0.582583 0.748929 0.700001 S\n0.545588 0.423877 0.747006 S\n0.417417 0.700001 0.748929 S\n0.917417 0.799998 0.751071 S\n0.045588 0.076123 0.752994 S\n0.082583 0.751071 0.799998 S\n0.646087 0.937031 0.814215 S\n0.097722 0.575073 0.836419 S\n0.415625 0.120239 0.879761 S\n0.045588 0.247006 0.923877 S\n0.402278 0.663582 0.924927 S\n0.353913 0.814215 0.937031 S\n0.423686 0.768314 0.231686 Te\n0.923686 0.731686 0.268315 Te\n0.076314 0.268315 0.731686 Te\n0.576314 0.231686 0.768314 Te\n",
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{
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