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{
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{
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"structure_string": "Th1 Fe5\n1.0\n2.534227 -4.389410 -0.000000\n2.534227 4.389410 0.000000\n-0.000000 -0.000000 3.990617\nTh Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.500001 0.500001 0.500000 Fe\n0.333334 0.666668 0.000000 Fe\n0.666668 0.333334 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
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{
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"created_at": "2022-09-04T14:38:44.061766Z",
"updated_at": "2022-09-04T14:38:44.061790Z",
"structure_string": "Mo2 H16 N4 O8\n1.0\n6.520187 0.021370 2.910813\n3.193702 5.684502 2.910813\n0.059441 0.034915 7.701757\nMo H N O\n2 16 4 8\ndirect\n0.832639 0.832639 0.724482 Mo\n0.167361 0.167361 0.275517 Mo\n0.909607 0.909606 0.254478 H\n0.090393 0.090394 0.745521 H\n0.095309 0.346599 0.695125 H\n0.904691 0.653401 0.304874 H\n0.346599 0.095310 0.695125 H\n0.139619 0.139620 0.913118 H\n0.860381 0.860381 0.086881 H\n0.653401 0.904690 0.304874 H\n0.416004 0.670570 0.638074 H\n0.670569 0.416004 0.638074 H\n0.583996 0.329431 0.361926 H\n0.563797 0.563797 0.158249 H\n0.436203 0.436203 0.841750 H\n0.420144 0.420144 0.206428 H\n0.579855 0.579856 0.793572 H\n0.329430 0.583996 0.361926 H\n0.167278 0.167279 0.761863 N\n0.832722 0.832721 0.238137 N\n0.476356 0.476356 0.271244 N\n0.523643 0.523644 0.728756 N\n0.680539 0.680540 0.908279 O\n0.929494 0.929495 0.832962 O\n0.070505 0.070506 0.167038 O\n0.363258 0.922619 0.423444 O\n0.077381 0.636743 0.576556 O\n0.636742 0.077381 0.576556 O\n0.922619 0.363258 0.423444 O\n0.319461 0.319461 0.091720 O\n",
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{
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"structure_string": "Mg1 Mo6 Se8\n1.0\n6.793690 -0.030954 -0.546471\n-0.633797 6.796093 -0.093130\n-0.049039 0.035337 6.853289\nMg Mo Se\n1 6 8\ndirect\n0.870994 0.085240 0.004179 Mg\n0.584819 0.448848 0.763108 Mo\n0.409578 0.552266 0.235558 Mo\n0.460375 0.763379 0.581082 Mo\n0.540904 0.237028 0.422187 Mo\n0.766390 0.590729 0.454855 Mo\n0.234141 0.410041 0.544514 Mo\n0.807569 0.774629 0.782089 Se\n0.203617 0.212964 0.217061 Se\n0.871995 0.262900 0.635580 Se\n0.131282 0.732290 0.365356 Se\n0.629088 0.884712 0.260641 Se\n0.373688 0.112924 0.736138 Se\n0.273418 0.612984 0.863954 Se\n0.726139 0.394070 0.134696 Se\n",
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