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{
"id": "jvasp-10696",
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"structure_string": "Sr4 Li2 Re2 N8\n1.0\n0.000000 6.188251 0.011755\n5.865837 0.000000 0.000000\n0.000000 -1.961897 -6.620717\nSr Li Re N\n4 2 2 8\ndirect\n0.261582 0.250000 0.942714 Sr\n0.738417 0.750000 0.057286 Sr\n0.783174 0.750000 0.569148 Sr\n0.216825 0.250000 0.430852 Sr\n0.307162 0.750000 0.689107 Li\n0.692837 0.250000 0.310893 Li\n0.716693 0.250000 0.798112 Re\n0.283307 0.750000 0.201888 Re\n0.472674 0.503800 0.252274 N\n0.527326 0.003800 0.747726 N\n0.527326 0.496201 0.747726 N\n0.472674 0.996201 0.252274 N\n0.099760 0.750000 0.373613 N\n0.900239 0.250000 0.626387 N\n0.116795 0.750000 0.934099 N\n0.883204 0.250000 0.065901 N\n",
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{
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"structure_string": "Mg4 Ta2 Sb2 O12\n1.0\n0.000000 5.528799 0.000229\n7.855421 0.000000 0.000000\n0.000000 -0.294080 -5.530057\nMg Ta Sb O\n4 2 2 12\ndirect\n0.515027 0.750000 0.467403 Mg\n0.484973 0.250000 0.532597 Mg\n0.981114 0.750000 0.968750 Mg\n0.018887 0.250000 0.031251 Mg\n0.500000 0.500000 -0.000000 Ta\n0.500000 0.000000 -0.000000 Ta\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.366976 0.570139 0.679127 O\n0.630204 0.750000 0.087006 O\n0.633024 0.070139 0.320873 O\n0.142645 0.250000 0.385236 O\n0.191963 0.928392 0.140958 O\n0.808037 0.071608 0.859043 O\n0.191963 0.571608 0.140958 O\n0.366976 0.929861 0.679127 O\n0.857355 0.750000 0.614764 O\n0.633024 0.429861 0.320873 O\n0.808037 0.428392 0.859043 O\n0.369796 0.250000 0.912994 O\n",
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{
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"structure_string": "Tb1 Fe4 P12\n1.0\n6.394438 -0.000000 -2.260775\n-3.197220 5.537747 -2.260775\n0.000000 0.000000 6.782326\nTb Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.649051 0.498852 0.849800 P\n0.849801 0.350949 0.200750 P\n0.649051 0.799250 0.150199 P\n0.498852 0.849801 0.649051 P\n0.150200 0.649051 0.799249 P\n0.501149 0.150200 0.350949 P\n0.350949 0.501149 0.150199 P\n0.150200 0.350949 0.501149 P\n0.799250 0.150200 0.649051 P\n0.200751 0.849801 0.350949 P\n0.350949 0.200751 0.849801 P\n0.849801 0.649051 0.498851 P\n",
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{
"id": "jvasp-101786",
"created_at": "2022-09-04T14:36:52.709630Z",
"updated_at": "2022-09-04T14:36:52.709667Z",
"structure_string": "H12 C12 O4\n1.0\n4.454815 0.007912 -0.823621\n-2.092414 5.316831 -0.423419\n-0.242467 -0.121704 10.195111\nH C O\n12 12 4\ndirect\n0.540024 0.593849 0.906958 H\n0.764398 0.240083 0.514576 H\n0.235601 0.759917 0.485424 H\n0.187567 0.356187 0.581481 H\n0.066021 0.077556 0.369369 H\n0.933978 0.922444 0.630631 H\n0.812432 0.643813 0.418519 H\n0.742718 0.605417 0.660285 H\n0.987629 0.620977 0.105796 H\n0.012370 0.379024 0.894204 H\n0.459975 0.406151 0.093041 H\n0.257281 0.394583 0.339715 H\n0.518048 0.016329 0.223014 C\n0.996143 0.365109 0.498271 C\n0.003856 0.634891 0.501729 C\n0.046307 0.262457 0.366389 C\n0.953692 0.737543 0.633611 C\n0.481951 0.983672 0.776986 C\n0.989999 0.785239 0.058263 C\n0.739571 0.771487 0.949497 C\n0.252652 0.013079 0.108471 C\n0.747347 0.986921 0.891529 C\n0.010000 0.214761 0.941737 C\n0.260428 0.228513 0.050503 C\n0.226207 0.762410 0.748007 O\n0.494316 0.163024 0.716549 O\n0.505683 0.836976 0.283450 O\n0.773793 0.237590 0.251992 O\n",
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{
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"created_at": "2022-09-04T14:35:46.167937Z",
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"structure_string": "Na2 H8 I2 O4\n1.0\n6.326085 0.110487 -3.308265\n-2.350656 5.311810 0.901494\n0.039234 0.024460 7.069620\nNa H I O\n2 8 2 4\ndirect\n0.861563 0.679373 0.517086 Na\n0.138437 0.320627 0.482914 Na\n0.106909 0.391215 0.861422 H\n0.893091 0.608786 0.138578 H\n0.862612 0.202606 0.719961 H\n0.137388 0.797394 0.280039 H\n0.264122 0.053968 0.861934 H\n0.735878 0.946033 0.138066 H\n0.347563 0.953548 0.733196 H\n0.652437 0.046453 0.266804 H\n0.621939 0.753501 0.776900 I\n0.378061 0.246500 0.223100 I\n0.982844 0.363418 0.715178 O\n0.017156 0.636583 0.284822 O\n0.222753 -0.000423 0.717568 O\n0.777248 0.000424 0.282433 O\n",
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{
"id": "jvasp-112860",
"created_at": "2022-09-04T14:38:44.967265Z",
"updated_at": "2022-09-04T14:38:44.967292Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n6.627786 0.093817 1.602487\n0.173352 6.626183 1.602487\n-0.187077 -0.184846 5.381717\nZn Si Sn O\n2 4 2 12\ndirect\n0.602398 0.397602 0.250001 Zn\n0.397602 0.602397 0.750001 Zn\n0.871317 0.690901 0.776314 Si\n0.309099 0.128683 0.723689 Si\n0.690901 0.871317 0.276313 Si\n0.128683 0.309099 0.223688 Si\n0.786358 0.213641 0.750001 Sn\n0.213641 0.786358 0.250001 Sn\n0.898943 0.390137 0.307905 O\n0.609863 0.101057 0.192097 O\n0.522078 0.699240 0.358545 O\n0.300759 0.477922 0.141456 O\n0.477922 0.300759 0.641457 O\n0.149893 0.187374 0.981352 O\n0.850107 0.812626 0.018651 O\n0.187374 0.149893 0.481351 O\n0.101057 0.609862 0.692097 O\n0.812626 0.850106 0.518651 O\n0.699241 0.522077 0.858546 O\n0.390137 0.898942 0.807905 O\n",
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{
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"updated_at": "2022-09-04T14:38:33.764340Z",
"structure_string": "Tb6 Fe1 Sb2\n1.0\n4.112150 -7.122454 0.000000\n4.112150 7.122454 -0.000000\n-0.000000 -0.000000 4.099306\nTb Fe Sb\n6 1 2\ndirect\n0.000000 0.234127 0.000000 Tb\n0.234127 0.000000 0.000000 Tb\n0.765873 0.765873 0.000000 Tb\n0.000000 0.599516 0.500000 Tb\n0.599516 0.000000 0.500000 Tb\n0.400484 0.400484 0.500000 Tb\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
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{
"id": "jvasp-87100",
"created_at": "2022-09-04T14:35:55.872810Z",
"updated_at": "2022-09-04T14:35:55.872835Z",
"structure_string": "K4 Te2 O6\n1.0\n6.302702 0.000000 0.000000\n-3.151351 5.458300 -0.000000\n-0.000000 0.000000 6.979915\nK Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.616305 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.383694 K\n0.666667 0.333333 0.866491 Te\n0.333333 0.666667 0.133509 Te\n0.901454 0.280204 0.740792 O\n0.378750 0.098546 0.740792 O\n0.719796 0.621250 0.740792 O\n0.098546 0.719796 0.259207 O\n0.280204 0.378750 0.259207 O\n0.621250 0.901454 0.259207 O\n",
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{
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"updated_at": "2022-09-04T14:37:41.843878Z",
"structure_string": "Sm4 Mn4 B16\n1.0\n3.497428 0.000000 0.000000\n0.000000 5.957526 -0.000000\n0.000000 -0.000000 11.524372\nSm Mn B\n4 4 16\ndirect\n0.000000 0.376494 0.651045 Sm\n0.000000 0.623507 0.348955 Sm\n0.000000 0.876494 0.848955 Sm\n0.000000 0.123506 0.151045 Sm\n0.000000 0.376426 0.918165 Mn\n0.000000 0.623574 0.081834 Mn\n0.000000 0.876427 0.581834 Mn\n0.000000 0.123574 0.418166 Mn\n0.500000 0.641638 0.532759 B\n0.500000 0.358363 0.467241 B\n0.500000 0.222764 0.818014 B\n0.500000 0.777237 0.181986 B\n0.500000 0.722764 0.681986 B\n0.500000 0.277236 0.318014 B\n0.500000 0.111374 0.545569 B\n0.500000 0.475418 0.188841 B\n0.500000 0.611375 0.954431 B\n0.500000 0.388626 0.045569 B\n0.500000 0.858363 0.032759 B\n0.500000 0.524582 0.811159 B\n0.500000 0.975419 0.311159 B\n0.500000 0.024582 0.688841 B\n0.500000 0.888626 0.454431 B\n0.500000 0.141637 0.967241 B\n",
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{
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"created_at": "2022-09-04T14:37:12.954380Z",
"updated_at": "2022-09-04T14:37:12.954412Z",
"structure_string": "Zn2 Te2 Mo2 O12\n1.0\n5.073319 0.000000 0.000000\n0.000000 5.302659 0.000000\n0.000000 0.000000 8.924802\nZn Te Mo O\n2 2 2 12\ndirect\n0.500000 0.500000 0.522844 Zn\n0.000000 0.000000 0.477156 Zn\n0.000000 0.500000 0.251452 Te\n0.500000 0.000000 0.748547 Te\n0.000000 0.500000 0.811513 Mo\n0.500000 0.000000 0.188487 Mo\n0.761068 0.177609 0.291361 O\n0.238932 0.822391 0.291361 O\n0.722447 0.175486 0.607147 O\n0.261068 0.322391 0.708639 O\n0.846038 0.286463 0.927702 O\n0.738932 0.677609 0.708639 O\n0.277553 0.824515 0.607147 O\n0.153962 0.713537 0.927702 O\n0.777553 0.675486 0.392853 O\n0.222447 0.324515 0.392853 O\n0.653962 0.786463 0.072298 O\n0.346038 0.213537 0.072298 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:12.045299Z",
"updated_at": "2022-09-04T14:37:12.045320Z",
"structure_string": "Ca1 Mn4 S8\n1.0\n6.915091 0.071254 0.050383\n3.519253 6.095524 0.000000\n3.519253 2.031841 5.746916\nCa Mn S\n1 4 8\ndirect\n0.500000 -0.000000 -0.000000 Ca\n-0.000000 0.499999 0.500000 Mn\n0.500000 0.499999 -0.000000 Mn\n0.500000 0.499999 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.251228 0.267195 0.267195 S\n0.251228 0.267195 0.714383 S\n0.251228 0.714382 0.267195 S\n0.723731 0.258755 0.258756 S\n0.276269 0.741243 0.741244 S\n0.748772 0.732804 0.285617 S\n0.748772 0.285617 0.732805 S\n0.748772 0.732804 0.732805 S\n",
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}