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{
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{
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"structure_string": "Y2 H6\n1.0\n1.810465 -3.135817 0.000000\n1.810465 3.135817 0.000000\n0.000000 0.000000 6.126619\nY H\n2 6\ndirect\n0.666667 0.333333 0.750000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.333333 0.666667 0.597149 H\n0.666667 0.333333 0.097149 H\n0.666667 0.333333 0.402851 H\n0.333333 0.666667 0.902851 H\n",
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{
"id": "mp-558641",
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"structure_string": "Fe1 H44 C12 N10 O16\n1.0\n9.196016 0.000000 0.000000\n-4.556486 -8.283206 0.000000\n-2.423458 0.965807 -9.475426\nFe H C N O\n1 44 12 10 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.434193 0.453792 0.148027 H\n0.765226 0.773195 0.135873 H\n0.546290 0.183818 0.003236 H\n0.234774 0.226805 0.864127 H\n0.163893 0.630484 0.998604 H\n0.720595 0.040678 0.877755 H\n0.408492 0.682095 0.695826 H\n0.279405 0.959322 0.122245 H\n0.859941 0.499669 0.315487 H\n0.167238 0.677254 0.701115 H\n0.029127 0.832464 0.782952 H\n0.295828 0.153095 0.641619 H\n0.046159 0.156480 0.760031 H\n0.591508 0.317905 0.304174 H\n0.953841 0.843520 0.239969 H\n0.496262 0.275088 0.428320 H\n0.503738 0.724912 0.571680 H\n0.909018 0.374570 0.847009 H\n0.600991 0.952565 0.150338 H\n0.630351 0.632754 0.355148 H\n0.356925 0.533647 0.995222 H\n0.089194 0.305080 0.132908 H\n0.565807 0.546208 0.851973 H\n0.490762 0.053553 0.641482 H\n0.910806 0.694920 0.867092 H\n0.399009 0.047435 0.849662 H\n0.453710 0.816182 0.996764 H\n0.369649 0.367246 0.644852 H\n0.140059 0.500331 0.684513 H\n0.509238 0.946447 0.358518 H\n0.090982 0.625430 0.152991 H\n0.324281 0.129866 0.196714 H\n0.291429 0.809314 0.361192 H\n0.342230 0.448193 0.357068 H\n0.704172 0.846905 0.358381 H\n0.194651 0.519568 0.361096 H\n0.643075 0.466353 0.004778 H\n0.657770 0.551807 0.642932 H\n0.708571 0.190686 0.638808 H\n0.805349 0.480432 0.638904 H\n0.832762 0.322746 0.298885 H\n0.675719 0.870134 0.803286 H\n0.970873 0.167536 0.217048 H\n0.836107 0.369516 0.001396 H\n0.405616 0.274444 0.681103 C\n0.696404 0.460760 0.679349 C\n0.602694 0.454322 0.888935 C\n0.507839 0.169721 0.887385 C\n0.492161 0.830279 0.112615 C\n0.799506 0.357234 0.885522 C\n0.600821 0.175497 0.678765 C\n0.397306 0.545678 0.111065 C\n0.303596 0.539240 0.320651 C\n0.200494 0.642766 0.114478 C\n0.399179 0.824503 0.321235 C\n0.594384 0.725556 0.318897 C\n0.654470 0.191269 0.834891 N\n0.450200 0.702820 0.375405 N\n0.060769 0.811865 0.504343 N\n0.345530 0.808731 0.165109 N\n0.546478 0.709324 0.162375 N\n0.751261 0.482152 0.835698 N\n0.939231 0.188135 0.495657 N\n0.549800 0.297180 0.624595 N\n0.453522 0.290676 0.837625 N\n0.248739 0.517848 0.164302 N\n0.888449 0.812787 0.139284 O\n0.910663 0.081650 0.581373 O\n0.993427 0.814078 0.871082 O\n0.249868 0.049138 0.111617 O\n0.477099 0.275513 0.323731 O\n0.212788 0.605307 0.742666 O\n0.750132 0.950862 0.888383 O\n0.787212 0.394693 0.257334 O\n0.522901 0.724487 0.676269 O\n0.139851 0.854438 0.635766 O\n0.006573 0.185922 0.128918 O\n0.089337 0.918350 0.418627 O\n0.860149 0.145562 0.364234 O\n0.111551 0.187213 0.860716 O\n0.042395 0.336869 0.536058 O\n0.957605 0.663131 0.463942 O\n",
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{
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"structure_string": "Li8 Ti1 Ni7 O16\n1.0\n6.478833 0.000000 0.000000\n2.004232 6.200476 0.000000\n3.231316 0.963934 6.927259\nLi Ti Ni O\n8 1 7 16\ndirect\n0.323214 0.180159 0.068713 Li\n0.187698 0.311992 0.444301 Li\n0.942867 0.550844 0.190062 Li\n0.559660 0.929516 0.314098 Li\n0.442583 0.069838 0.684095 Li\n0.065120 0.447497 0.807139 Li\n0.810958 0.690139 0.557467 Li\n0.677235 0.813537 0.929461 Li\n0.999901 0.003918 0.989438 Ti\n0.623455 0.373766 0.126736 Ni\n0.127107 0.872031 0.622057 Ni\n0.250226 0.748081 0.251590 Ni\n0.877280 0.124610 0.374193 Ni\n0.497539 0.499020 0.500708 Ni\n0.750799 0.251487 0.747749 Ni\n0.376158 0.624675 0.875053 Ni\n0.673322 0.081369 0.030694 O\n0.287349 0.488978 0.154423 O\n0.965363 0.259466 0.107469 O\n0.567221 0.645755 0.243832 O\n0.540032 0.237574 0.406908 O\n0.212192 0.012445 0.343116 O\n0.179806 0.587655 0.529218 O\n0.927309 0.851296 0.271104 O\n0.090081 0.151464 0.732495 O\n0.819961 0.404353 0.467282 O\n0.797274 0.982753 0.632410 O\n0.462205 0.756452 0.592877 O\n0.416219 0.366007 0.763686 O\n0.046894 0.722340 0.909145 O\n0.694205 0.529927 0.852788 O\n0.335059 0.901869 0.962677 O\n",
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{
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{
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{
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{
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"structure_string": "Li5 Mn1 Co2 O8\n1.0\n5.838742 0.000000 0.000000\n0.000000 4.967601 0.000000\n0.000000 1.672002 4.797721\nLi Mn Co O\n5 1 2 8\ndirect\n0.991940 0.500000 0.500000 Li\n0.747513 0.000000 0.500000 Li\n0.508018 0.500000 0.500000 Li\n0.251559 0.000000 0.500000 Li\n0.748656 0.500000 0.000000 Li\n0.999362 0.000000 0.000000 Mn\n0.510319 0.000000 0.000000 Co\n0.246017 0.500000 0.000000 Co\n0.019263 0.746885 0.783584 O\n0.764034 0.222367 0.761895 O\n0.476529 0.741491 0.781599 O\n0.238482 0.252586 0.777077 O\n0.019263 0.253115 0.216416 O\n0.764034 0.777633 0.238105 O\n0.476529 0.258509 0.218401 O\n0.238482 0.747414 0.222923 O\n",
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}