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{
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{
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{
"id": "mp-999288",
"created_at": "2022-09-04T14:46:37.936538Z",
"structure_string": "Pr1 Tl1 Te2\n1.0\n8.330859 -2.302971 0.000000\n8.330859 2.302971 0.000000\n7.694229 0.000000 3.937731\nPr Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Tl\n0.740046 0.740046 0.740046 Te\n0.259954 0.259954 0.259954 Te\n",
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{
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"structure_string": "Ti24 P18 O90\n1.0\n0.000000 11.202446 19.512645\n3.750992 0.000000 19.512645\n3.750992 11.202446 0.000000\nTi P O\n24 18 90\ndirect\n0.877134 0.041495 0.057483 Ti\n0.023888 0.057483 0.041495 Ti\n0.208505 0.372866 0.226112 Ti\n0.192517 0.226112 0.372866 Ti\n0.478836 0.768372 0.430348 Ti\n0.322444 0.430348 0.768372 Ti\n0.481628 0.771164 0.927556 Ti\n0.819652 0.927556 0.771164 Ti\n0.329618 0.757573 0.440308 Ti\n0.472501 0.440308 0.757573 Ti\n0.492427 0.920382 0.777499 Ti\n0.809692 0.777499 0.920382 Ti\n0.202356 0.391652 0.723824 Ti\n0.682168 0.723824 0.391652 Ti\n0.858348 0.047644 0.567832 Ti\n0.526176 0.567832 0.047644 Ti\n0.007026 0.423056 0.758881 Ti\n0.811037 0.758881 0.423056 Ti\n0.826944 0.242974 0.438963 Ti\n0.491119 0.438963 0.242974 Ti\n0.879647 0.379582 0.725648 Ti\n0.015124 0.725648 0.379582 Ti\n0.870418 0.370353 0.234876 Ti\n0.524352 0.234876 0.370353 Ti\n0.567328 0.432672 0.432672 P\n0.817328 0.682672 0.682672 P\n0.203748 0.467636 0.459534 P\n0.869082 0.459534 0.467636 P\n0.782364 0.046252 0.380918 P\n0.790466 0.380918 0.046252 P\n0.878388 0.785896 0.118169 P\n0.217546 0.118169 0.785896 P\n0.464104 0.371612 0.032454 P\n0.131831 0.032454 0.371612 P\n0.557296 0.105588 0.771449 P\n0.565667 0.771449 0.105588 P\n0.144412 0.692704 0.684333 P\n0.478551 0.684333 0.692704 P\n0.875708 0.123428 0.789138 P\n0.211725 0.789138 0.123428 P\n0.126572 0.374292 0.038275 P\n0.460862 0.038275 0.374292 P\n0.108993 0.275578 0.804486 O\n0.810942 0.804486 0.275578 O\n0.974422 0.141007 0.439058 O\n0.445514 0.439058 0.141007 O\n0.465559 0.485959 0.608014 O\n0.440469 0.608014 0.485959 O\n0.764041 0.784441 0.809531 O\n0.641986 0.809531 0.784441 O\n0.089908 0.206563 0.983389 O\n0.720140 0.983389 0.206563 O\n0.043437 0.160092 0.529860 O\n0.266611 0.529860 0.160092 O\n0.288852 0.174879 0.948060 O\n0.588209 0.948060 0.174879 O\n0.075121 0.961148 0.661791 O\n0.301940 0.661791 0.961148 O\n0.783679 0.170175 0.968377 O\n0.077769 0.968377 0.170175 O\n0.079825 0.466321 0.172231 O\n0.281623 0.172231 0.466321 O\n0.493985 0.797123 0.267565 O\n0.441327 0.267565 0.797123 O\n0.452877 0.756015 0.808673 O\n0.982435 0.808673 0.756015 O\n0.407280 0.967751 0.189302 O\n0.435666 0.189302 0.967751 O\n0.282249 0.842720 0.814334 O\n0.060698 0.814334 0.842720 O\n0.746788 0.304501 0.857478 O\n0.091234 0.857478 0.304501 O\n0.945499 0.503212 0.158766 O\n0.392522 0.158766 0.503212 O\n0.773015 0.512594 0.651275 O\n0.063115 0.651275 0.512594 O\n0.737406 0.476985 0.186885 O\n0.598725 0.186885 0.476985 O\n0.919233 0.203778 0.989129 O\n0.887860 0.989129 0.203778 O\n0.046222 0.330767 0.362140 O\n0.260871 0.362140 0.330767 O\n0.190096 0.357360 0.880794 O\n0.571751 0.880794 0.357360 O\n0.892640 0.059904 0.678249 O\n0.369206 0.678249 0.059904 O\n0.575463 0.630950 0.509847 O\n0.283740 0.509847 0.630950 O\n0.619050 0.674537 0.966260 O\n0.740153 0.966260 0.674537 O\n0.607844 0.503672 0.626920 O\n0.261564 0.626920 0.503672 O\n0.746328 0.642156 0.988436 O\n0.623080 0.988436 0.642156 O\n0.721615 0.648164 0.530476 O\n0.099744 0.530476 0.648164 O\n0.601836 0.528385 0.150256 O\n0.719524 0.150256 0.528385 O\n0.907849 0.871912 0.332686 O\n0.887552 0.332686 0.871912 O\n0.378088 0.342151 0.362448 O\n0.917314 0.362448 0.342151 O\n0.272246 0.849267 0.319198 O\n0.559289 0.319198 0.849267 O\n0.400733 0.977754 0.690711 O\n0.930802 0.690711 0.977754 O\n0.963488 0.495123 0.622365 O\n0.919024 0.622365 0.495123 O\n0.754877 0.286512 0.330976 O\n0.627635 0.330976 0.286512 O\n0.247914 0.966962 0.189767 O\n0.595357 0.189767 0.966962 O\n0.283038 0.002086 0.654643 O\n0.060233 0.654643 0.002086 O\n0.268772 0.231228 0.231228 O\n0.018772 0.981228 0.981228 O\n0.691402 0.635241 0.327359 O\n0.345998 0.327359 0.635241 O\n0.614759 0.558598 0.904002 O\n0.922641 0.904002 0.558598 O\n0.415671 0.916893 0.921062 O\n0.746374 0.921062 0.916893 O\n0.333107 0.834329 0.503626 O\n0.328938 0.503626 0.834329 O\n0.044591 0.617276 0.307113 O\n0.031019 0.307113 0.617276 O\n0.632724 0.205409 0.218981 O\n0.942887 0.218981 0.205409 O\n0.729164 0.260656 0.583967 O\n0.426214 0.583967 0.260656 O\n0.989344 0.520836 0.823786 O\n0.666033 0.823786 0.520836 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Cr4 H36 C24 S24 O12\n1.0\n14.070201 0.000000 0.000000\n0.000000 9.779347 0.000000\n0.000000 6.393725 11.037138\nCr H C S O\n4 36 24 24 12\ndirect\n0.984340 0.590786 0.231640 Cr\n0.515660 0.590786 0.731640 Cr\n0.015660 0.409214 0.768360 Cr\n0.484340 0.409214 0.268360 Cr\n0.033868 0.938575 0.300489 H\n0.466132 0.938575 0.800489 H\n0.966132 0.061425 0.699511 H\n0.533868 0.061425 0.199511 H\n0.025829 0.123755 0.161103 H\n0.474171 0.123755 0.661103 H\n0.974171 0.876245 0.838897 H\n0.525829 0.876245 0.338897 H\n0.121634 0.090623 0.264306 H\n0.378366 0.090623 0.764306 H\n0.878366 0.909377 0.735694 H\n0.621634 0.909377 0.235694 H\n0.630676 0.957658 0.986622 H\n0.869324 0.957658 0.486622 H\n0.369324 0.042342 0.013378 H\n0.130676 0.042342 0.513378 H\n0.738225 0.928854 0.925225 H\n0.761775 0.928854 0.425225 H\n0.261775 0.071146 0.074775 H\n0.238225 0.071146 0.574775 H\n0.664273 0.761553 0.020837 H\n0.835727 0.761553 0.520837 H\n0.335727 0.238447 0.979163 H\n0.164273 0.238447 0.479163 H\n0.332674 0.828737 0.364755 H\n0.167326 0.828737 0.864755 H\n0.667326 0.171263 0.635245 H\n0.832674 0.171263 0.135245 H\n0.301102 0.627230 0.411276 H\n0.198898 0.627230 0.911276 H\n0.698898 0.372770 0.588724 H\n0.801102 0.372770 0.088724 H\n0.224692 0.745928 0.447002 H\n0.275308 0.745928 0.947002 H\n0.775308 0.254072 0.552998 H\n0.724692 0.254072 0.052998 H\n0.046787 0.065731 0.256650 C\n0.453213 0.065731 0.756650 C\n0.953213 0.934269 0.743350 C\n0.546787 0.934269 0.243350 C\n0.689923 0.877182 0.002961 C\n0.810077 0.877182 0.502961 C\n0.310077 0.122818 0.997039 C\n0.189923 0.122818 0.497039 C\n0.274311 0.746856 0.380416 C\n0.225689 0.746856 0.880416 C\n0.725689 0.253144 0.619584 C\n0.774311 0.253144 0.119584 C\n0.988931 0.273052 0.288831 C\n0.511069 0.273052 0.788831 C\n0.011069 0.726948 0.711169 C\n0.488931 0.726948 0.211169 C\n0.816219 0.769326 0.147427 C\n0.683781 0.769326 0.647427 C\n0.183781 0.230674 0.852573 C\n0.316219 0.230674 0.352573 C\n0.150799 0.732538 0.256762 C\n0.349201 0.732538 0.756762 C\n0.849201 0.267462 0.743238 C\n0.650799 0.267462 0.243238 C\n0.059204 0.408691 0.177230 S\n0.440796 0.408691 0.677230 S\n0.940796 0.591309 0.822770 S\n0.559204 0.591309 0.322770 S\n0.916310 0.330612 0.365810 S\n0.583690 0.330612 0.865810 S\n0.083690 0.669388 0.634190 S\n0.416310 0.669388 0.134190 S\n0.864013 0.682502 0.073144 S\n0.635987 0.682502 0.573144 S\n0.135987 0.317498 0.926856 S\n0.364013 0.317498 0.426856 S\n0.869112 0.741774 0.276145 S\n0.630888 0.741774 0.776145 S\n0.130888 0.258226 0.723855 S\n0.369112 0.258226 0.223855 S\n0.097084 0.807382 0.119591 S\n0.402916 0.807382 0.619591 S\n0.902916 0.192618 0.880409 S\n0.597084 0.192618 0.380409 S\n0.103524 0.571027 0.377672 S\n0.396476 0.571027 0.877672 S\n0.896476 0.428973 0.622328 S\n0.603524 0.428973 0.122328 S\n0.987192 0.120186 0.321377 O\n0.512808 0.120186 0.821377 O\n0.012808 0.879814 0.678623 O\n0.487192 0.879814 0.178623 O\n0.738463 0.859066 0.109881 O\n0.761537 0.859066 0.609881 O\n0.261537 0.140934 0.890119 O\n0.238463 0.140934 0.390119 O\n0.227488 0.807744 0.263839 O\n0.272512 0.807744 0.763839 O\n0.772512 0.192256 0.736161 O\n0.727488 0.192256 0.236161 O\n",
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}
]
}