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{
"id": "jvasp-112076",
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"structure_string": "Sn1 H16 C9 O4\n1.0\n4.544526 -0.043054 -0.684890\n-1.669095 6.611836 -1.016979\n-0.122473 0.204683 8.622412\nSn H C O\n1 16 9 4\ndirect\n0.154599 0.358519 0.632703 Sn\n0.818172 0.748213 0.029185 H\n0.582789 0.689653 0.775402 H\n0.158887 0.984416 0.513957 H\n0.788166 0.025981 0.448680 H\n0.893342 0.969094 0.645792 H\n0.956276 0.907522 0.214557 H\n0.408633 0.733272 0.584496 H\n0.213291 0.744427 0.748821 H\n0.437576 0.774322 0.289195 H\n0.919756 0.632902 0.351656 H\n0.746175 0.438613 0.192372 H\n0.025335 0.236760 0.082148 H\n0.957936 0.049242 0.917301 H\n0.401218 0.930256 0.971922 H\n0.540888 0.086943 0.158184 H\n0.331174 0.600639 0.109496 H\n0.610121 -0.000890 0.061255 C\n0.840490 0.138545 0.988879 C\n0.696084 0.547569 0.281914 C\n0.528855 0.688292 0.200722 C\n0.720802 0.270292 0.878542 C\n0.527917 0.431460 0.391784 C\n0.367927 0.673179 0.692732 C\n0.973828 0.043304 0.550143 C\n0.745919 0.834760 0.125811 C\n0.674483 0.386207 0.517486 O\n0.917736 0.405489 0.833971 O\n0.435378 0.241589 0.832770 O\n0.238684 0.387794 0.366793 O\n",
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"structure_string": "Tm3 Ga9 Ru3\n1.0\n6.374977 0.000000 -0.000000\n-0.000000 6.374977 0.000000\n0.000000 -0.000000 6.374977\nTm Ga Ru\n3 9 3\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Ga\n0.212873 0.212873 0.212873 Ga\n0.212873 0.787127 0.212873 Ga\n0.212873 0.212873 0.787127 Ga\n0.787127 0.212873 0.212873 Ga\n0.787127 0.787127 0.212873 Ga\n0.212873 0.787127 0.787127 Ga\n0.787127 0.212873 0.787127 Ga\n0.787127 0.787127 0.787127 Ga\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n",
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{
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"updated_at": "2022-09-04T14:36:20.118167Z",
"structure_string": "Ba4 Cd1 Te1\n1.0\n-0.000000 5.059527 5.059527\n5.059527 0.000000 5.059527\n5.059527 5.059527 0.000000\nBa Cd Te\n4 1 1\ndirect\n0.121440 0.626187 0.626187 Ba\n0.626187 0.626187 0.626187 Ba\n0.626187 0.121440 0.626187 Ba\n0.626187 0.626187 0.121440 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:38:41.871303Z",
"updated_at": "2022-09-04T14:38:41.871329Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.545282 -0.042847 -0.678859\n-1.668449 6.608479 -1.023137\n-0.133470 0.207882 8.623417\nSn H C O\n1 16 9 4\ndirect\n0.200741 0.658651 0.381635 Sn\n0.002557 0.207637 0.963466 H\n0.939905 0.268979 0.394684 H\n0.629106 -0.010157 0.524358 H\n0.259667 0.044722 0.497862 H\n0.454916 0.033529 0.333520 H\n0.864382 0.048226 0.778103 H\n0.834175 0.325901 0.197675 H\n0.205089 0.284485 0.262661 H\n0.447433 0.230380 0.720933 H\n0.004104 0.349286 0.666196 H\n0.071674 0.536967 0.831011 H\n0.792638 0.738700 0.941464 H\n0.965947 0.933191 0.100708 H\n0.483648 0.074446 0.038024 H\n0.377474 0.900566 0.858380 H\n0.587308 0.387195 0.907163 H\n0.575068 0.988360 0.949627 C\n0.742344 0.847719 0.030920 C\n0.886728 0.438681 0.737788 C\n0.656410 0.299262 0.810215 C\n0.574118 0.731605 0.140760 C\n0.766970 0.570420 0.627465 C\n0.020063 0.343289 0.299022 C\n0.414227 0.973413 0.441729 C\n0.792170 0.134848 0.874731 C\n0.963893 0.705670 0.582886 O\n0.720670 0.686334 0.266432 O\n0.284870 0.687947 0.115772 O\n0.481533 0.541660 0.581698 O\n",
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"structure_string": "K2 Lu1 Cu1 Cl6\n1.0\n6.196005 -0.000000 3.577265\n2.065335 5.841649 3.577265\n-0.000000 -0.000000 7.154530\nK Lu Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Lu\n0.499999 0.500000 0.500000 Cu\n0.747447 0.252552 0.252552 Cl\n0.252552 0.252552 0.747447 Cl\n0.252552 0.747448 0.747447 Cl\n0.252552 0.747448 0.252552 Cl\n0.747447 0.252552 0.747447 Cl\n0.747446 0.747448 0.252552 Cl\n",
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{
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"structure_string": "U4 Ge4 Au4\n1.0\n2.212458 -3.832090 0.000000\n2.212458 3.832090 0.000000\n0.000000 -0.000000 15.271681\nU Ge Au\n4 4 4\ndirect\n0.000000 0.000000 0.250000 U\n0.000000 0.000000 0.750000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.107260 Ge\n0.666667 0.333333 0.607260 Ge\n0.666667 0.333333 0.892740 Ge\n0.333333 0.666667 0.392740 Ge\n0.333333 0.666667 0.853648 Au\n0.666667 0.333333 0.353648 Au\n0.666667 0.333333 0.146352 Au\n0.333333 0.666667 0.646351 Au\n",
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{
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"created_at": "2022-09-04T14:38:05.969926Z",
"updated_at": "2022-09-04T14:38:05.969938Z",
"structure_string": "Ho4 Ti4 O14\n1.0\n7.154494 -0.000000 -0.000000\n3.577248 6.195973 -0.000000\n3.577248 2.065324 5.841620\nHo Ti O\n4 4 14\ndirect\n0.000001 0.499999 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 -0.000000 0.500000 Ho\n0.500000 0.499999 0.500000 Ho\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.668836 0.081164 0.081164 O\n0.918836 0.331164 0.331164 O\n0.918836 0.918835 0.331164 O\n0.625000 0.624999 0.625000 O\n0.331165 0.331163 0.918836 O\n0.331165 0.918835 0.331164 O\n0.375000 0.375000 0.375000 O\n0.081165 0.668835 0.668836 O\n0.081164 0.081164 0.668836 O\n0.081164 0.668836 0.081164 O\n0.918836 0.331163 0.918836 O\n0.668836 0.081164 0.668836 O\n0.668836 0.668836 0.081164 O\n0.331165 0.918835 0.918836 O\n",
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{
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"updated_at": "2022-09-04T14:37:51.585176Z",
"structure_string": "Ce4 Re4 B16\n1.0\n3.703074 0.000000 0.000000\n0.000000 6.007638 0.000000\n0.000000 0.000000 11.639993\nCe Re B\n4 4 16\ndirect\n0.000000 0.126357 0.150265 Ce\n0.000000 0.873643 0.849735 Ce\n0.000000 0.626358 0.349735 Ce\n0.000000 0.373643 0.650264 Ce\n0.000000 0.136311 0.408339 Re\n0.000000 0.863689 0.591661 Re\n0.000000 0.636312 0.091661 Re\n0.000000 0.363689 0.908339 Re\n0.499999 0.862055 0.031108 B\n0.499999 0.137945 0.968891 B\n0.499999 0.285715 0.314849 B\n0.499999 0.714285 0.685151 B\n0.499999 0.785716 0.185151 B\n0.499999 0.214285 0.814849 B\n0.499999 0.111942 0.545986 B\n0.499999 0.974334 0.309546 B\n0.499999 0.611942 0.954013 B\n0.499999 0.388058 0.045987 B\n0.499999 0.637945 0.531108 B\n0.499999 0.025667 0.690454 B\n0.499999 0.474333 0.190454 B\n0.499999 0.525667 0.809546 B\n0.499999 0.888058 0.454013 B\n0.499999 0.362055 0.468891 B\n",
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{
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"created_at": "2022-09-04T14:37:08.862386Z",
"updated_at": "2022-09-04T14:37:08.862407Z",
"structure_string": "K4 Cd4 O6\n1.0\n0.000000 6.477876 0.014232\n6.604627 0.000000 0.000000\n0.000000 -3.225012 -6.059620\nK Cd O\n4 4 6\ndirect\n0.847217 0.344140 0.094514 K\n0.847217 0.155861 0.594513 K\n0.152784 0.655861 0.905487 K\n0.152784 0.844140 0.405487 K\n0.341268 0.128913 0.081365 Cd\n0.341268 0.371087 0.581365 Cd\n0.658734 0.871087 0.918636 Cd\n0.658733 0.628914 0.418636 Cd\n0.000000 0.500000 0.500000 O\n0.641451 0.590968 0.740170 O\n0.358550 0.090968 0.759830 O\n0.358550 0.409032 0.259830 O\n0.000000 0.000000 0.000000 O\n0.641451 0.909033 0.240170 O\n",
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{
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"structure_string": "Mg5 Mn1 Sb4\n1.0\n4.537737 -0.000000 -0.000000\n-2.268867 3.929796 0.000000\n-0.000000 0.000000 14.521290\nMg Mn Sb\n5 1 4\ndirect\n0.666667 0.333333 0.998265 Mg\n0.666667 0.333333 0.502624 Mg\n0.000000 -0.000000 0.184320 Mg\n0.333333 0.666668 0.811658 Mg\n0.333333 0.666668 0.316203 Mg\n0.000000 -0.000000 0.687336 Mn\n0.000000 -0.000000 0.882993 Sb\n0.000000 -0.000000 0.388433 Sb\n0.333333 0.666668 0.615796 Sb\n0.333333 0.666668 0.112373 Sb\n",
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{
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"structure_string": "Li4 Fe2 B2 P2 O14\n1.0\n0.000000 5.003185 0.030136\n6.092286 0.000000 0.000000\n0.000000 -0.580953 -8.498809\nLi Fe B P O\n4 2 2 2 14\ndirect\n0.766742 0.483552 0.204222 Li\n0.766742 0.016448 0.204222 Li\n0.233259 0.983553 0.795778 Li\n0.233259 0.516448 0.795778 Li\n0.209893 0.250000 0.329823 Fe\n0.790108 0.750001 0.670177 Fe\n0.266942 0.250000 0.056291 B\n0.733060 0.750001 0.943709 B\n0.276710 0.750001 0.428579 P\n0.723291 0.250000 0.571420 P\n0.530110 0.750001 0.817075 O\n0.813817 0.053928 0.678017 O\n0.813817 0.446072 0.678017 O\n0.139268 0.750001 0.584137 O\n0.415835 0.250000 0.532285 O\n0.584166 0.750001 0.467715 O\n0.022418 0.250000 0.129577 O\n0.186185 0.553928 0.321983 O\n0.186185 0.946073 0.321983 O\n0.469892 0.250000 0.182925 O\n0.977583 0.750001 0.870423 O\n0.698584 0.750001 0.095247 O\n0.860733 0.250000 0.415863 O\n0.301418 0.250000 0.904752 O\n",
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{
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"updated_at": "2022-09-04T14:37:11.239636Z",
"structure_string": "Rb2 Sb1 Cl6\n1.0\n6.195779 -0.000000 3.577135\n2.065260 5.841437 3.577135\n-0.000000 -0.000000 7.154270\nRb Sb Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Sb\n0.748824 0.251176 0.251176 Cl\n0.251176 0.748824 0.748823 Cl\n0.251176 0.748824 0.251175 Cl\n0.748824 0.251176 0.748823 Cl\n0.251176 0.251176 0.748823 Cl\n0.748824 0.748824 0.251175 Cl\n",
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]
}