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{
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"structure_string": "Rb2 Na1 Pr1 Br6\n1.0\n6.985231 -0.000000 4.032925\n2.328410 6.585739 4.032925\n-0.000000 -0.000000 8.065850\nRb Na Pr Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pr\n0.747607 0.252393 0.252394 Br\n0.252393 0.252393 0.747607 Br\n0.252393 0.747607 0.747607 Br\n0.252393 0.747607 0.252394 Br\n0.747607 0.252393 0.747607 Br\n0.747607 0.747607 0.252394 Br\n",
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{
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"structure_string": "H14 C12 S2 N2\n1.0\n4.442827 -0.078137 -0.890871\n-2.365879 6.720448 -0.666579\n0.015813 0.079374 9.619783\nH C S N\n14 12 2 2\ndirect\n0.227916 0.687672 0.558649 H\n0.980856 0.337806 0.026284 H\n0.980859 0.837807 0.526285 H\n0.421953 0.347054 0.314906 H\n0.421954 0.847055 0.814907 H\n0.539198 0.117818 0.665102 H\n0.610898 0.481600 0.617433 H\n0.539197 0.617817 0.165101 H\n0.246971 0.314676 0.789525 H\n0.246973 0.814677 0.289526 H\n0.185344 0.499527 0.285624 H\n0.185344 -0.000472 0.785625 H\n0.227916 0.187670 0.058648 H\n0.610898 0.981600 0.117434 H\n0.585659 0.537133 0.965995 C\n0.200905 0.330007 0.095360 C\n0.200904 0.830007 0.595360 C\n0.189872 0.348475 0.253657 C\n0.189870 0.848474 0.753657 C\n0.585662 0.037134 0.465996 C\n0.665242 0.035107 0.232164 C\n0.923651 0.200441 0.299356 C\n0.470637 0.440699 0.825730 C\n0.470637 0.940699 0.325731 C\n0.665244 0.535109 0.732164 C\n0.923651 0.700442 0.799356 C\n0.933540 0.243054 0.482106 S\n0.933539 0.743054 0.982105 S\n0.487782 0.995366 0.590015 N\n0.487780 0.495365 0.090015 N\n",
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"structure_string": "Ba1 Mg1 Ti4 O8\n1.0\n2.720922 -4.712775 -0.000000\n2.720922 4.712775 -0.000000\n0.000000 0.000000 7.303613\nBa Mg Ti O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.740933 Ti\n0.666667 0.333333 0.740933 Ti\n0.333333 0.666667 0.259067 Ti\n0.666667 0.333333 0.259067 Ti\n0.312645 0.312645 0.674418 O\n0.687354 0.000000 0.674418 O\n0.000000 0.687354 0.674418 O\n0.687354 0.687354 0.325582 O\n0.000000 0.312645 0.325582 O\n0.312645 0.000000 0.325582 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Bi1 Pb1 Br1 O2\n1.0\n3.826635 -0.016754 -5.994334\n-0.340298 3.811511 -5.994334\n0.015393 0.016754 7.111606\nBi Pb Br O\n1 1 1 2\ndirect\n0.342098 0.342098 0.000001 Bi\n0.653058 0.653058 0.000002 Pb\n0.991244 0.991244 0.000003 Br\n0.756801 0.256801 0.500002 O\n0.256800 0.756800 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:56.951651Z",
"updated_at": "2022-09-04T14:36:56.951683Z",
"structure_string": "H12 C22 S4 O2\n1.0\n3.787960 -0.041016 0.166418\n1.306102 9.841787 4.835639\n-0.100497 0.114242 11.798873\nH C S O\n12 22 4 2\ndirect\n0.415859 0.821585 0.983890 H\n0.329174 0.578083 0.113932 H\n0.396601 0.822686 0.165556 H\n0.896605 0.822685 0.665556 H\n0.314551 0.580996 0.293078 H\n0.814557 0.580996 0.793078 H\n0.829166 0.578083 0.613933 H\n0.956668 0.413501 0.229735 H\n0.295840 0.164349 0.816214 H\n0.795846 0.164348 0.316215 H\n0.915854 0.821586 0.483890 H\n0.456657 0.413503 0.729735 H\n0.165742 0.834845 0.817910 C\n0.731811 0.631495 0.516150 C\n0.231818 0.631494 0.016150 C\n0.781464 0.766834 0.444621 C\n0.281469 0.766833 0.944621 C\n0.280419 0.053082 0.637289 C\n0.780418 0.053081 0.137289 C\n0.568749 0.560722 0.462553 C\n0.068755 0.560722 0.962553 C\n0.665738 0.834846 0.317910 C\n0.460031 0.631266 0.334386 C\n0.345476 0.184123 0.624248 C\n0.502872 0.768008 0.261661 C\n0.002877 0.768008 0.761661 C\n0.845478 0.184123 0.124248 C\n0.495222 0.421615 0.541201 C\n0.995228 0.421615 0.041201 C\n0.441633 0.360995 0.671161 C\n0.941641 0.360994 0.171161 C\n0.353854 0.227783 0.717971 C\n0.853859 0.227782 0.217971 C\n0.960036 0.631264 0.834386 C\n0.943693 0.310422 0.977490 S\n0.443692 0.310422 0.477490 S\n0.807438 0.009996 0.019646 S\n0.307440 0.009996 0.519647 S\n0.207337 0.972773 0.761271 O\n0.707334 0.972773 0.261270 O\n",
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{
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"created_at": "2022-09-04T14:36:51.507477Z",
"updated_at": "2022-09-04T14:36:51.507487Z",
"structure_string": "Ti1 H8 C5 O4\n1.0\n5.221229 0.109486 -0.218201\n-0.834961 5.416460 -1.253609\n0.019245 -0.085337 6.099277\nTi H C O\n1 8 5 4\ndirect\n0.048553 0.113197 0.864565 Ti\n0.266063 0.080338 0.260674 H\n0.124613 0.783942 0.091848 H\n0.450165 0.446272 0.911268 H\n0.422381 0.927006 0.014467 H\n0.225211 0.498324 0.701539 H\n0.470363 0.564597 0.392129 H\n0.675253 0.710683 0.222388 H\n0.418644 0.246238 0.633210 H\n0.314115 0.358122 0.764192 C\n0.237629 0.961247 0.088599 C\n0.800001 0.376084 0.290290 C\n0.811478 0.785960 0.563138 C\n0.672403 0.610742 0.357165 C\n0.691835 0.921004 0.713633 O\n0.880601 0.328589 0.082412 O\n0.823131 0.243366 0.421272 O\n0.060112 0.814236 0.589833 O\n",
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