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{
"id": "jvasp-48228",
"created_at": "2022-09-04T14:38:11.226148Z",
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{
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{
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"updated_at": "2022-09-04T14:37:43.580947Z",
"structure_string": "Fe2 P2 H12 N2 O10\n1.0\n4.780007 0.000000 0.000000\n0.000000 5.684895 0.000000\n0.000000 0.000000 8.871192\nFe P H N O\n2 2 12 2 10\ndirect\n0.509689 0.500000 0.023568 Fe\n0.009689 0.000000 0.976432 Fe\n0.071303 0.500000 0.804816 P\n0.571303 0.000000 0.195184 P\n0.570550 0.138921 0.807161 H\n0.570550 0.861080 0.807161 H\n0.070550 0.638921 0.192839 H\n0.127170 0.150726 0.593504 H\n0.127170 0.849275 0.593504 H\n0.070550 0.361080 0.192839 H\n0.627171 0.650726 0.406496 H\n0.955792 0.000000 0.456046 H\n0.455792 0.500000 0.543954 H\n0.318284 0.000000 0.462937 H\n0.818284 0.500000 0.537062 H\n0.627171 0.349275 0.406496 H\n0.632529 0.500000 0.472495 N\n0.132529 0.000000 0.527505 N\n0.716060 0.218135 0.118967 O\n0.716060 0.781866 0.118967 O\n0.216060 0.281865 0.881033 O\n0.216060 0.718136 0.881033 O\n0.755239 0.500000 0.831224 O\n0.131824 0.500000 0.633262 O\n0.255239 0.000000 0.168776 O\n0.192484 0.500000 0.207771 O\n0.631824 0.000000 0.366738 O\n0.692484 0.000000 0.792229 O\n",
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{
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"updated_at": "2022-09-04T14:38:44.109576Z",
"structure_string": "Ti1 H18 C10 O4\n1.0\n5.980833 0.047549 -0.497683\n-0.587334 5.167356 -1.250212\n-0.140328 0.196373 9.145730\nTi H C O\n1 18 10 4\ndirect\n0.692823 0.358115 0.690260 Ti\n0.181719 0.909568 0.231646 H\n0.047134 0.130488 0.606951 H\n0.889303 0.734468 0.900998 H\n-0.003838 0.786998 0.733744 H\n0.092971 0.533762 0.820506 H\n0.158890 0.650633 0.073137 H\n0.787790 0.936833 0.522853 H\n0.219788 0.347368 0.250859 H\n0.892584 0.192079 0.440135 H\n0.083695 0.612974 0.517727 H\n0.266977 0.856132 0.478943 H\n0.411835 0.796294 0.903172 H\n0.269349 0.046146 -0.006086 H\n0.570299 0.163964 0.208861 H\n0.758419 0.978056 0.107486 H\n0.582842 0.778372 0.303599 H\n0.550304 0.576431 0.121672 H\n0.972321 0.502388 0.262523 H\n0.497107 0.753857 0.188612 C\n0.580118 0.985255 0.125236 C\n0.438878 -0.009039 0.977035 C\n0.225648 0.646457 0.454063 C\n0.157170 0.536303 0.284626 C\n0.536162 0.152612 0.879722 C\n0.413093 0.534404 0.528914 C\n0.879621 0.130566 0.546580 C\n0.949623 0.639575 0.795406 C\n0.240437 0.720279 0.189118 C\n0.459282 0.303030 0.486223 O\n0.407200 0.242196 0.786526 O\n0.750174 0.199027 0.876852 O\n0.532801 0.670905 0.649360 O\n",
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{
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"structure_string": "Ca4 Al2 H22 C1 O20\n1.0\n5.706138 0.013519 0.748200\n0.857457 7.597689 3.467082\n0.061282 -0.088358 9.700647\nCa Al H C O\n4 2 22 1 20\ndirect\n0.523471 0.117126 0.802988 Ca\n0.481223 0.883980 0.196058 Ca\n0.016522 0.619706 0.310569 Ca\n0.978684 0.378706 0.698460 Ca\n0.003949 0.997270 0.000696 Al\n0.495803 0.502730 0.504932 Al\n0.234570 0.997434 0.476865 H\n0.969964 0.973790 0.537771 H\n0.219584 0.502545 0.037017 H\n0.856936 0.526281 0.930998 H\n0.062202 0.632308 0.820861 H\n0.557210 0.140475 0.318995 H\n0.287388 0.213274 0.271915 H\n0.447797 0.863608 0.677218 H\n0.701750 0.784794 0.735292 H\n0.465601 0.482848 0.777063 H\n0.487677 0.506568 0.994526 H\n0.032005 0.011895 0.731286 H\n0.520647 0.512002 0.235197 H\n0.826829 0.735243 0.007110 H\n0.324418 0.774425 0.965523 H\n0.685149 0.217824 0.042138 H\n0.187649 0.257768 0.997193 H\n0.657825 0.771619 0.499202 H\n0.817091 0.288800 0.456942 H\n0.168544 0.722131 0.542015 H\n0.979296 0.001555 0.259447 H\n0.341435 0.237755 0.501986 H\n0.879638 0.323945 0.202206 C\n0.739956 0.407023 0.093889 O\n0.430565 0.571390 0.296795 O\n0.131176 0.929851 0.568200 O\n0.336158 0.560252 0.949551 O\n0.903870 0.602343 0.821632 O\n0.396450 0.104062 0.320554 O\n0.605775 0.894986 0.674319 O\n0.563158 0.431832 0.711368 O\n0.936184 0.065856 0.795615 O\n0.692067 0.111737 0.022232 O\n0.185322 0.610114 0.529947 O\n0.806002 0.390762 0.483307 O\n0.644255 0.717343 0.429330 O\n0.348863 0.287732 0.575669 O\n0.315231 0.887411 0.975031 O\n0.853115 0.784538 0.077833 O\n0.154567 0.211028 0.926160 O\n0.079149 0.383700 0.195912 O\n0.067250 0.929713 0.207185 O\n0.821989 0.184826 0.315963 O\n",
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{
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"created_at": "2022-09-04T14:36:05.850353Z",
"updated_at": "2022-09-04T14:36:05.850376Z",
"structure_string": "Mn2 B4 W1\n1.0\n-0.000000 -0.000000 3.017834\n3.107886 -0.000000 -0.000000\n-1.553943 6.423371 -1.508917\nMn B W\n2 4 1\ndirect\n0.186239 0.186241 0.372480 Mn\n0.813758 0.813761 0.627519 Mn\n0.352194 0.352197 0.704392 B\n0.647803 0.647805 0.295608 B\n0.927552 0.427555 0.855108 B\n0.072446 0.572447 0.144892 B\n0.499999 0.000000 0.000000 W\n",
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{
"id": "jvasp-116499",
"created_at": "2022-09-04T14:38:43.462106Z",
"updated_at": "2022-09-04T14:38:43.462139Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.957557 -0.059274 -0.197927\n-1.485632 4.772729 -0.138381\n-0.020976 -0.022601 5.842110\nLi Mn Co O\n4 2 2 8\ndirect\n0.758019 0.501337 0.121020 Li\n0.266799 0.506848 0.359308 Li\n0.733202 0.493153 0.640692 Li\n0.241981 0.498664 0.878980 Li\n0.754157 0.010818 0.366052 Mn\n0.245843 0.989183 0.633948 Mn\n0.746340 0.994876 0.877952 Co\n0.253661 0.005126 0.122048 Co\n0.989930 0.764282 0.891581 O\n0.515782 0.784634 0.117198 O\n0.023085 0.788637 0.364505 O\n0.488465 0.755522 0.638117 O\n0.511535 0.244480 0.361882 O\n0.976916 0.211364 0.635495 O\n0.484219 0.215367 0.882802 O\n0.010070 0.235719 0.108418 O\n",
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{
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"structure_string": "Li2 Mn1 Cu1 O4\n1.0\n5.091620 -0.184290 0.000000\n2.062640 4.658763 0.000000\n-3.577131 -2.237237 2.856128\nLi Mn Cu O\n2 1 1 4\ndirect\n0.250000 0.749999 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Cu\n0.507428 0.007428 0.500000 O\n0.225177 0.225177 -0.000000 O\n0.992572 0.492572 0.500000 O\n0.774823 0.774822 -0.000000 O\n",
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"structure_string": "Zn1 H10 C7 O4\n1.0\n4.682964 -0.019491 -0.233269\n-2.103461 4.051500 -0.728722\n0.056028 -0.048444 10.005630\nZn H C O\n1 10 7 4\ndirect\n0.277563 0.628730 0.812035 Zn\n0.956718 0.381871 0.490633 H\n0.772545 -0.071322 0.277567 H\n0.610064 0.138376 0.193645 H\n0.164732 0.629741 0.226138 H\n0.322398 0.412968 0.307321 H\n0.725165 0.712041 0.040420 H\n0.144445 0.980711 0.092405 H\n0.511906 0.833450 0.534148 H\n0.402505 0.074841 0.442366 H\n0.817360 0.615657 0.410816 H\n0.240795 0.042441 0.637110 C\n0.314066 0.888693 0.506076 C\n0.026118 0.569693 0.427583 C\n0.104117 0.443347 0.290013 C\n0.830367 0.113144 0.212807 C\n0.906832 0.970978 0.076324 C\n0.913578 0.163762 0.967345 C\n0.672969 0.067903 0.877258 O\n0.089923 -0.134624 0.720794 O\n0.332341 0.353267 0.655227 O\n0.172486 0.435641 0.972981 O\n",
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{
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"updated_at": "2022-09-04T14:38:36.398028Z",
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{
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}