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{
"id": "jvasp-119477",
"created_at": "2022-09-04T14:38:33.859653Z",
"updated_at": "2022-09-04T14:38:33.859678Z",
"structure_string": "Ti4 Fe1 Co1 S8\n1.0\n5.826678 0.022755 0.001008\n-2.877072 5.527915 -1.690685\n-0.000417 -0.001883 6.762962\nTi Fe Co S\n4 1 1 8\ndirect\n0.734250 0.987059 0.372676 Ti\n0.265750 0.012942 0.627324 Ti\n0.733444 0.985961 0.870172 Ti\n0.266556 0.014039 0.129828 Ti\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500000 Co\n0.958803 0.738506 0.307249 S\n0.442366 0.726034 0.056611 S\n0.959255 0.737297 0.811664 S\n0.443973 0.727160 0.556548 S\n0.040745 0.262703 0.188337 S\n0.557635 0.273966 0.943390 S\n0.041197 0.261495 0.692751 S\n0.556028 0.272840 0.443453 S\n",
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"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n6.418967 -0.058450 1.397892\n2.776737 5.787597 1.397892\n-0.002510 -0.001564 6.883566\nYb Mo Cl O\n2 2 2 8\ndirect\n0.720960 0.720960 0.138637 Yb\n0.279041 0.279042 0.861363 Yb\n0.647032 0.647032 0.720259 Mo\n0.352969 0.352969 0.279741 Mo\n0.022889 0.022889 0.132856 Cl\n0.977111 0.977112 0.867144 Cl\n0.495503 0.890916 0.853246 O\n0.514614 0.514614 0.250190 O\n0.890915 0.495504 0.853246 O\n0.485386 0.485387 0.749810 O\n0.504497 0.109085 0.146753 O\n0.109086 0.504497 0.146753 O\n0.727970 0.727970 0.466147 O\n0.272030 0.272031 0.533853 O\n",
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{
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"updated_at": "2022-09-04T14:38:45.987717Z",
"structure_string": "Mg2 Al3 Cr1 S8\n1.0\n6.236646 0.000093 3.600822\n2.078715 5.909057 3.600770\n0.000023 0.000055 7.201671\nMg Al Cr S\n2 3 1 8\ndirect\n0.874277 0.877166 0.874281 Mg\n0.125723 0.122835 0.125718 Mg\n0.500001 0.500000 0.499999 Al\n0.499998 0.499999 0.000001 Al\n-0.000000 0.500000 0.499999 Al\n0.500001 0.999999 0.499999 Cr\n0.737714 0.738557 0.737708 S\n0.262287 0.261442 0.713977 S\n0.261743 0.714780 0.261738 S\n0.713977 0.261450 0.262286 S\n0.738256 0.285219 0.738262 S\n0.286024 0.738549 0.737713 S\n0.262288 0.261438 0.262296 S\n0.737712 0.738556 0.286025 S\n",
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{
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"created_at": "2022-09-04T14:38:33.317050Z",
"updated_at": "2022-09-04T14:38:33.317086Z",
"structure_string": "Li2 V4 O8\n1.0\n5.050340 0.000000 2.915815\n1.683447 4.761506 2.915815\n-0.000000 -0.000000 5.831630\nLi V O\n2 4 8\ndirect\n0.874999 0.875001 0.875001 Li\n0.124999 0.125001 0.124999 Li\n0.500000 0.000000 0.499999 V\n0.999999 0.500000 0.500001 V\n0.499999 0.500000 0.000001 V\n0.499999 0.500000 0.500001 V\n0.259938 0.259938 0.259937 O\n0.259938 0.259938 0.720188 O\n0.740064 0.740063 0.740064 O\n0.740064 0.740063 0.279811 O\n0.279811 0.740063 0.740063 O\n0.259937 0.720190 0.259937 O\n0.720189 0.259938 0.259936 O\n0.740063 0.279811 0.740063 O\n",
"nsites": 14,
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"elements": [
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{
"id": "jvasp-119659",
"created_at": "2022-09-04T14:38:36.677537Z",
"updated_at": "2022-09-04T14:38:36.677558Z",
"structure_string": "Ga2 Fe2 Ni2 O8\n1.0\n5.110179 0.020743 -2.917813\n-1.700861 4.796337 -2.954694\n-0.000065 -0.020743 5.884519\nGa Fe Ni O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000001 Ga\n-0.000000 0.500001 0.500001 Ga\n0.118963 0.868964 0.250001 Fe\n0.881037 0.131037 0.750001 Fe\n0.500000 0.500000 0.500001 Ni\n0.500000 -0.000000 0.000000 Ni\n0.257197 0.738731 0.981534 O\n0.257197 0.275666 0.518468 O\n0.254509 0.741165 0.513346 O\n0.727819 0.741165 0.986656 O\n0.742803 0.261270 0.018468 O\n0.742802 0.724335 0.481534 O\n0.745491 0.258835 0.486655 O\n0.272181 0.258835 0.013345 O\n",
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{
"id": "jvasp-119656",
"created_at": "2022-09-04T14:38:36.634687Z",
"updated_at": "2022-09-04T14:38:36.634707Z",
"structure_string": "K1 In5 S8\n1.0\n9.565362 -0.004696 2.149086\n8.772005 3.814197 2.149086\n-0.016688 -0.003467 9.307388\nK In S\n1 5 8\ndirect\n0.517699 0.517698 0.512601 K\n0.999853 0.999853 0.000811 In\n0.715144 0.715143 0.663012 In\n0.286934 0.286933 0.338402 In\n0.357457 0.357456 0.899257 In\n0.643162 0.643163 0.099964 In\n0.934199 0.934198 0.775596 S\n0.066179 0.066179 0.224174 S\n0.586308 0.586307 0.877807 S\n0.413663 0.413663 0.121542 S\n0.237902 0.237901 0.847683 S\n0.762218 0.762218 0.154062 S\n0.163543 0.163542 0.525431 S\n0.836731 0.836731 0.476145 S\n",
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{
"id": "jvasp-59875",
"created_at": "2022-09-04T14:38:36.629106Z",
"updated_at": "2022-09-04T14:38:36.629137Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.222700 -0.000000 -3.266997\n-1.715214 5.981642 -3.266997\n-0.287595 -0.381654 7.011948\nLi Cr S\n2 4 8\ndirect\n0.375001 0.625001 0.750000 Li\n0.624999 0.375000 0.250000 Li\n0.000000 0.500001 0.000001 Cr\n0.000001 0.000000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.760022 0.780071 0.520045 S\n0.760026 0.239980 0.979957 S\n0.219930 0.239980 0.979956 S\n0.239978 0.219930 0.479956 S\n0.239978 0.760025 0.479955 S\n0.239974 0.760021 0.020045 S\n0.760021 0.239974 0.520044 S\n0.780070 0.760021 0.020044 S\n",
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{
"id": "jvasp-119220",
"created_at": "2022-09-04T14:38:36.623616Z",
"updated_at": "2022-09-04T14:38:36.623634Z",
"structure_string": "Ce4 Mg2 S8\n1.0\n6.836658 0.000181 -2.669190\n-3.190006 6.046797 -2.669190\n-0.000109 -0.000181 7.339242\nCe Mg S\n4 2 8\ndirect\n0.875000 0.751673 0.376673 Ce\n0.501673 0.125000 0.876673 Ce\n0.375000 0.498327 0.623327 Ce\n0.248327 0.625000 0.123327 Ce\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.504321 0.376040 0.267705 S\n0.763384 0.495679 0.871719 S\n0.108335 0.236616 0.732295 S\n0.623960 0.891665 0.128281 S\n0.245679 0.013384 0.371719 S\n0.986616 0.358335 0.232295 S\n0.641665 0.873960 0.628281 S\n0.126040 0.754322 0.767705 S\n",
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{
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"created_at": "2022-09-04T14:38:33.122625Z",
"updated_at": "2022-09-04T14:38:33.122660Z",
"structure_string": "Ca2 Ti4 O8\n1.0\n3.067832 0.000000 0.000000\n-1.533916 4.897884 -0.000000\n0.000000 0.000000 10.117053\nCa Ti O\n2 4 8\ndirect\n0.379701 0.759404 0.750000 Ca\n0.620296 0.240595 0.250000 Ca\n0.875615 0.751233 0.064999 Ti\n0.124382 0.248766 0.935001 Ti\n0.875615 0.751233 0.435001 Ti\n0.124382 0.248766 0.564999 Ti\n0.232514 0.465029 0.392850 O\n0.767484 0.534970 0.607150 O\n0.767484 0.534970 0.892850 O\n0.232514 0.465029 0.107150 O\n0.939087 0.878179 0.250000 O\n0.060910 0.121820 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:43.220977Z",
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"structure_string": "Bi2 Pd4 O8\n1.0\n5.663957 -0.015924 -0.584492\n-2.525392 4.992985 -2.566015\n-0.009649 0.005003 6.454458\nBi Pd O\n2 4 8\ndirect\n0.861937 0.242846 0.641683 Bi\n0.138064 0.757155 0.358319 Bi\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000001 Pd\n0.500001 0.500001 0.500001 Pd\n0.500000 0.000000 0.000000 Pd\n0.646950 0.394294 0.228567 O\n0.353051 0.605707 0.771435 O\n0.842137 0.858595 0.642349 O\n0.157865 0.141406 0.357653 O\n0.521670 0.874255 0.247483 O\n0.478331 0.125746 0.752519 O\n0.878792 0.647255 0.988563 O\n0.121209 0.352746 0.011439 O\n",
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{
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"created_at": "2022-09-04T14:38:36.844203Z",
"updated_at": "2022-09-04T14:38:36.844230Z",
"structure_string": "Co2 P2 O8 F2\n1.0\n4.818226 -0.095904 -1.476706\n-1.148590 4.527606 -1.578502\n0.042640 0.007834 6.908938\nCo P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.354404 0.682772 0.236087 P\n0.645597 0.317229 0.763914 P\n0.660738 0.086793 0.872414 O\n0.785539 0.630021 0.947524 O\n0.784534 0.260565 0.586877 O\n0.328681 0.313475 0.658397 O\n0.214462 0.369980 0.052477 O\n0.215467 0.739436 0.413123 O\n0.671320 0.686526 0.341604 O\n0.339263 0.913208 0.127586 O\n0.049260 0.864010 0.730791 F\n0.950741 0.135991 0.269209 F\n",
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{
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"updated_at": "2022-09-04T14:38:33.941667Z",
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]
}