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{
"id": "jvasp-22970",
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{
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{
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"updated_at": "2022-09-04T14:37:54.008791Z",
"structure_string": "Ca6 In2 N1 F1\n1.0\n0.000002 4.928797 4.928806\n4.928797 0.000003 4.928805\n4.928802 4.928801 -0.000001\nCa In N F\n6 2 1 1\ndirect\n0.240744 0.759256 0.759256 Ca\n0.240744 0.759256 0.240745 Ca\n0.759256 0.240744 0.759255 Ca\n0.759255 0.759255 0.240746 Ca\n0.240745 0.240745 0.759255 Ca\n0.759255 0.240745 0.240744 Ca\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
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{
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"structure_string": "Ca6 In4 As8\n1.0\n4.365523 0.000000 0.000000\n0.000000 6.611679 -0.000000\n0.000000 0.000000 16.172100\nCa In As\n6 4 8\ndirect\n0.000000 0.280904 0.804877 Ca\n0.500000 0.780904 0.695123 Ca\n0.000000 0.719096 0.195123 Ca\n0.500000 0.219096 0.304877 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.641911 0.911058 In\n0.000000 0.141911 0.588942 In\n0.000000 0.858090 0.411058 In\n0.500000 0.358089 0.088942 In\n0.000000 0.739139 0.571788 As\n0.500000 0.239139 0.928212 As\n0.500000 0.760861 0.071788 As\n0.000000 0.224094 0.174514 As\n0.000000 0.260861 0.428212 As\n0.500000 0.724094 0.325486 As\n0.000000 0.775906 0.825486 As\n0.500000 0.275906 0.674514 As\n",
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{
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"structure_string": "Ca6 In4 N8\n1.0\n7.001528 -0.000240 0.051077\n-5.426566 6.822328 0.000000\n0.015386 0.012238 5.966839\nCa In N\n6 4 8\ndirect\n0.222755 0.980234 0.052333 Ca\n0.777245 0.757478 0.447668 Ca\n0.777245 0.019767 0.947668 Ca\n0.222756 0.242523 0.552333 Ca\n0.000000 0.613970 0.750000 Ca\n0.000000 0.386030 0.250000 Ca\n0.598802 0.419905 0.117874 In\n0.401198 0.821103 0.382126 In\n0.598803 0.178898 0.617875 In\n0.401198 0.580096 0.882126 In\n0.299049 0.746008 0.035330 N\n0.213919 0.944487 0.507910 N\n0.786082 0.730569 0.992090 N\n0.786081 0.055514 0.492090 N\n0.213919 0.269432 0.007910 N\n0.700952 0.253992 0.964670 N\n0.299049 0.553041 0.535330 N\n0.700952 0.446959 0.464670 N\n",
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{
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"created_at": "2022-09-04T14:35:46.913743Z",
"updated_at": "2022-09-04T14:35:46.913756Z",
"structure_string": "Ca6 La6 B10 O30\n1.0\n10.549237 0.000000 -0.000000\n-5.274619 9.135907 0.000000\n-0.000000 0.000000 6.395150\nCa La B O\n6 6 10 30\ndirect\n0.526812 0.473188 0.261793 Ca\n0.053624 0.526812 0.761793 Ca\n0.473188 0.946377 0.761793 Ca\n0.526812 0.053624 0.261793 Ca\n0.946377 0.473188 0.261793 Ca\n0.473188 0.526812 0.761793 Ca\n0.843715 0.156285 0.580823 La\n0.156285 0.312571 0.080823 La\n0.843715 0.687430 0.580823 La\n0.312571 0.156285 0.580823 La\n0.156285 0.843715 0.080823 La\n0.687430 0.843715 0.080823 La\n0.000000 0.000000 0.748216 B\n0.199063 0.800937 0.547159 B\n0.333333 0.666667 0.098751 B\n0.666667 0.333333 0.598751 B\n0.000000 0.000000 0.248216 B\n0.800937 0.199063 0.047159 B\n0.601874 0.800937 0.547159 B\n0.199063 0.398126 0.547159 B\n0.800937 0.601874 0.047159 B\n0.398126 0.199063 0.047159 B\n0.075637 0.924363 0.741159 O\n0.151274 0.075637 0.241159 O\n0.924363 0.848727 0.241159 O\n0.075637 0.151274 0.741159 O\n0.590153 0.180306 0.597965 O\n0.924363 0.075637 0.241159 O\n0.180306 0.590153 0.097965 O\n0.373448 0.301548 0.945518 O\n0.848727 0.924363 0.741159 O\n0.409847 0.819694 0.097965 O\n0.698452 0.071900 0.945518 O\n0.071900 0.373448 0.445518 O\n0.819694 0.409847 0.597965 O\n0.409847 0.590153 0.097965 O\n0.227026 0.772974 0.745442 O\n0.454053 0.227026 0.245442 O\n0.772974 0.545948 0.245442 O\n0.772974 0.227026 0.245442 O\n0.227026 0.454053 0.745442 O\n0.928100 0.626552 0.945518 O\n0.545948 0.772974 0.745442 O\n0.698452 0.626552 0.945518 O\n0.928100 0.301548 0.945518 O\n0.590153 0.409847 0.597965 O\n0.301548 0.373448 0.445518 O\n0.373448 0.071900 0.945518 O\n0.301548 0.928100 0.445518 O\n0.626552 0.698452 0.445518 O\n0.626552 0.928100 0.445518 O\n0.071900 0.698452 0.445518 O\n",
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{
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"structure_string": "Ca6 Mg2\n1.0\n5.199041 0.000000 0.000000\n0.000000 5.199041 0.000000\n-0.000000 0.000000 10.466397\nCa Mg\n6 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.750000 Ca\n0.500000 0.000000 0.750000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.000000 0.500000 0.250000 Ca\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
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{
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"updated_at": "2022-09-04T14:38:43.768647Z",
"structure_string": "Ca6 Mn2 Co2 O12\n1.0\n6.319990 -0.016608 -0.231706\n-0.246115 6.348508 -0.236927\n-0.016924 -0.017507 6.323961\nCa Mn Co O\n6 2 2 12\ndirect\n0.884778 0.249954 0.615200 Ca\n0.612603 0.887735 0.246429 Ca\n0.253630 0.612276 0.887408 Ca\n0.115202 0.750021 0.384783 Ca\n0.387427 0.112259 0.753595 Ca\n0.746396 0.387711 0.112614 Ca\n0.499958 0.500024 0.500011 Mn\n0.000013 0.000028 0.999964 Mn\n0.756860 0.749880 0.743277 Co\n0.243228 0.249992 0.256796 Co\n0.911136 0.713023 0.042279 O\n0.209627 0.417892 0.544214 O\n0.418536 0.549480 0.213419 O\n0.542317 0.213056 0.411146 O\n0.581416 0.450490 0.786606 O\n0.955756 0.082142 0.290317 O\n0.790328 0.582197 0.455826 O\n0.088837 0.286979 0.957695 O\n0.286585 0.950521 0.081477 O\n0.044280 0.917951 0.709635 O\n0.457661 0.786949 0.588836 O\n0.713444 0.049455 0.918478 O\n",
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{
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"structure_string": "Ca6 Mn2 Co2 O12\n1.0\n6.332969 0.012767 -0.216970\n-0.224967 6.328985 -0.216970\n0.012296 0.012767 6.336673\nCa Mn Co O\n6 2 2 12\ndirect\n0.386863 0.113138 0.750000 Ca\n0.613138 0.886862 0.250000 Ca\n0.113138 0.750000 0.386862 Ca\n0.750000 0.386862 0.113138 Ca\n0.886863 0.250001 0.613138 Ca\n0.250000 0.613138 0.886862 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.954823 0.084848 0.286544 O\n0.213457 0.415153 0.545177 O\n0.545178 0.213457 0.415153 O\n0.286543 0.954822 0.084847 O\n0.786544 0.584847 0.454822 O\n0.454822 0.786544 0.584847 O\n0.915153 0.713456 0.045178 O\n0.584848 0.454823 0.786543 O\n0.084848 0.286544 0.954822 O\n0.415153 0.545178 0.213456 O\n0.713457 0.045178 0.915152 O\n0.045178 0.915153 0.713456 O\n",
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}