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{
"id": "jvasp-56270",
"created_at": "2022-09-04T14:37:43.559584Z",
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"structure_string": "Nd4 Os8\n1.0\n2.690833 -4.660660 0.000000\n2.690833 4.660660 0.000000\n0.000000 -0.000000 9.147932\nNd Os\n4 8\ndirect\n0.333332 0.666666 0.564963 Nd\n0.666666 0.333332 0.435037 Nd\n0.666666 0.333332 0.064963 Nd\n0.333332 0.666666 0.935037 Nd\n0.169903 0.830095 0.250000 Os\n0.169904 0.339808 0.250000 Os\n0.339808 0.169904 0.750000 Os\n0.830095 0.169903 0.750000 Os\n0.660191 0.830095 0.250000 Os\n0.000000 0.000000 0.000000 Os\n0.830095 0.660191 0.750000 Os\n0.000000 0.000000 0.500000 Os\n",
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{
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{
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"structure_string": "K4 Hg4\n1.0\n6.510382 -0.036145 0.038245\n-0.081854 6.896993 0.018958\n-1.395550 -2.228800 6.542343\nK Hg\n4 4\ndirect\n0.313767 0.198910 0.857927 K\n0.686234 0.801089 0.142073 K\n0.756278 0.345871 0.555459 K\n0.243722 0.654128 0.444542 K\n0.143623 0.714088 0.935990 Hg\n0.856377 0.285911 0.064010 Hg\n0.790639 0.892503 0.692074 Hg\n0.209361 0.107496 0.307927 Hg\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-54807",
"created_at": "2022-09-04T14:37:44.897678Z",
"updated_at": "2022-09-04T14:37:44.897705Z",
"structure_string": "K1 Br1\n1.0\n3.945907 -0.000000 0.000000\n-0.000000 3.945907 -0.000000\n-0.000000 0.000000 3.945907\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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{
"id": "jvasp-38249",
"created_at": "2022-09-04T14:38:02.838951Z",
"updated_at": "2022-09-04T14:38:02.838966Z",
"structure_string": "Rb3 Cd1\n1.0\n6.116435 0.000000 0.000000\n0.000000 6.116435 0.000000\n0.000000 -0.000000 6.116435\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 2.676466872689311,
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},
{
"id": "jvasp-58288",
"created_at": "2022-09-04T14:37:35.604494Z",
"updated_at": "2022-09-04T14:37:35.604513Z",
"structure_string": "C4 O8\n1.0\n4.268047 0.000000 0.000000\n-0.000000 4.268047 -0.000000\n-0.000000 -0.000000 9.219147\nC O\n4 8\ndirect\n0.499654 0.499654 0.000000 C\n0.000346 -0.000346 0.250000 C\n-0.000346 0.000346 0.750000 C\n0.500346 0.500346 0.500000 C\n0.194593 0.193885 0.250046 O\n0.306115 0.694593 0.500046 O\n0.693886 0.305407 0.000046 O\n0.694593 0.306115 0.499954 O\n0.305407 0.693886 -0.000046 O\n0.805408 0.806116 0.750047 O\n0.193885 0.194593 0.749954 O\n0.806116 0.805408 0.249954 O\n",
"nsites": 12,
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{
"id": "jvasp-59544",
"created_at": "2022-09-04T14:37:42.911007Z",
"updated_at": "2022-09-04T14:37:42.911020Z",
"structure_string": "Fe14 C6\n1.0\n3.408169 -5.903121 -0.000000\n3.408169 5.903121 -0.000000\n0.000000 0.000000 4.482885\nFe C\n14 6\ndirect\n0.454460 0.908920 0.683355 Fe\n0.333333 0.666667 0.188403 Fe\n0.666667 0.333333 0.688403 Fe\n0.454460 0.545540 0.683355 Fe\n0.545540 0.091081 0.183354 Fe\n0.091081 0.545540 0.683355 Fe\n0.877191 0.122810 0.510734 Fe\n0.908920 0.454460 0.183354 Fe\n0.754383 0.877191 0.010733 Fe\n0.245618 0.122809 0.510734 Fe\n0.877191 0.754383 0.510734 Fe\n0.122810 0.877191 0.010733 Fe\n0.545540 0.454460 0.183354 Fe\n0.122809 0.245618 0.010733 Fe\n0.813197 0.626394 0.905779 C\n0.813197 0.186803 0.905779 C\n0.186803 0.373606 0.405779 C\n0.626394 0.813197 0.405779 C\n0.373606 0.186803 0.905779 C\n0.186803 0.813197 0.405779 C\n",
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"density": 7.860727843552511,
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"volume": 180.38083827137675,
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"formula_full": "Fe14 C6",
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{
"id": "jvasp-24447",
"created_at": "2022-09-04T14:38:03.965016Z",
"updated_at": "2022-09-04T14:38:03.965042Z",
"structure_string": "Kr2 F4\n1.0\n4.576641 -0.000000 0.000000\n-0.000000 4.576641 0.000000\n0.000000 0.000000 5.743656\nKr F\n2 4\ndirect\n0.000000 0.000000 0.000000 Kr\n0.500000 0.500000 0.500000 Kr\n0.199330 0.800670 0.500000 F\n0.300670 0.300670 0.000000 F\n0.699330 0.699330 0.000000 F\n0.800670 0.199330 0.500000 F\n",
"nsites": 6,
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"formula_full": "Kr2 F4",
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},
{
"id": "jvasp-39264",
"created_at": "2022-09-04T14:37:44.919122Z",
"updated_at": "2022-09-04T14:37:44.919150Z",
"structure_string": "Fe1 Re1\n1.0\n1.341624 -2.323760 -0.000000\n1.341624 2.323760 -0.000000\n0.000000 0.000000 4.142608\nFe Re\n1 1\ndirect\n0.333332 0.666666 0.500000 Fe\n0.666666 0.333332 0.000000 Re\n",
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],
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{
"id": "jvasp-36125",
"created_at": "2022-09-04T14:37:35.788106Z",
"updated_at": "2022-09-04T14:37:35.788138Z",
"structure_string": "In1 Pd3\n1.0\n4.155688 0.000000 -0.000000\n0.000000 4.155688 -0.000000\n-2.077844 -2.077844 3.799545\nIn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.499999 Pd\n0.750000 0.250000 0.499999 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"elements": [
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"density": 10.984983577395303,
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{
"id": "jvasp-104021",
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"structure_string": "H46 C30\n1.0\n5.890009 0.051363 0.668801\n2.497327 9.428760 0.044157\n-0.082068 -0.040624 10.384369\nH C\n46 30\ndirect\n0.774650 0.236297 0.086094 H\n0.738910 0.181929 0.745883 H\n0.501429 0.641159 0.011084 H\n0.498572 0.358841 0.988916 H\n0.249047 0.617251 0.105886 H\n0.750953 0.382749 0.894115 H\n0.480425 0.572178 0.299757 H\n0.519576 0.427822 0.700243 H\n0.614307 0.450791 0.170020 H\n0.385694 0.549209 0.829980 H\n0.261090 0.818071 0.254118 H\n0.916492 0.548789 0.264287 H\n0.889472 0.598115 0.101588 H\n0.897384 0.807041 0.238880 H\n0.102616 0.192959 0.761120 H\n0.654268 0.785143 0.342519 H\n0.345732 0.214857 0.657481 H\n0.655088 0.855825 0.053701 H\n0.344912 0.144175 0.946299 H\n0.525337 0.975178 0.184440 H\n0.474664 0.024822 0.815561 H\n0.083508 0.451211 0.735713 H\n0.312370 0.775488 0.705141 H\n0.110528 0.401885 0.898412 H\n0.253011 0.950284 0.647564 H\n0.687631 0.224512 0.294859 H\n0.225350 0.763703 0.913906 H\n0.176513 0.023390 0.307520 H\n0.823488 0.976610 0.692481 H\n0.331631 0.205245 0.188648 H\n0.044549 0.318813 0.193366 H\n0.955451 0.681187 0.806634 H\n0.305776 0.211093 0.429543 H\n0.694224 0.788907 0.570457 H\n0.252434 0.385918 0.371913 H\n0.668369 0.794755 0.811353 H\n0.817127 0.419520 0.423434 H\n0.182873 0.580480 0.576567 H\n0.962701 0.368227 0.562735 H\n0.037299 0.631773 0.437265 H\n0.665282 0.231426 0.534023 H\n0.334719 0.768574 0.465977 H\n0.954049 0.118788 0.528977 H\n0.045951 0.881212 0.471023 H\n0.747566 0.614082 0.628087 H\n0.746989 0.049716 0.352436 H\n0.816634 0.143925 0.342785 C\n0.183366 0.856075 0.657215 C\n0.341331 0.812711 0.152757 C\n0.658669 0.187289 0.847244 C\n0.407827 0.654716 0.109826 C\n0.592173 0.345285 0.890174 C\n0.204033 0.386550 0.799368 C\n0.428550 0.436325 0.799627 C\n0.795967 0.613450 0.200633 C\n0.736609 0.771059 0.241155 C\n0.161383 0.797479 0.523566 C\n0.263391 0.228941 0.758845 C\n0.571450 0.563675 0.200373 C\n0.838617 0.202521 0.476435 C\n0.967048 0.953577 0.875604 C\n0.941831 0.330974 0.465792 C\n0.820807 0.706848 0.618930 C\n0.179194 0.293152 0.381070 C\n0.841714 0.764849 0.753390 C\n0.158286 0.235151 0.246610 C\n0.945313 0.894791 0.743201 C\n0.054687 0.105209 0.256799 C\n0.126164 0.868639 0.952428 C\n0.873836 0.131361 0.047572 C\n0.032953 0.046423 0.124396 C\n0.836134 0.089478 0.924537 C\n0.163866 0.910522 0.075463 C\n0.567960 0.862670 0.153588 C\n0.058170 0.669026 0.534209 C\n0.432041 0.137330 0.846413 C\n",
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{
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"structure_string": "Fe1 O2\n1.0\n4.830714 -0.486281 -0.288015\n4.285625 2.281597 -0.288015\n4.285625 0.843985 2.139234\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.599192 0.599196 0.599196 O\n0.400802 0.400806 0.400805 O\n",
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}
]
}