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{
"id": "jvasp-113202",
"created_at": "2022-09-04T14:38:47.080233Z",
"updated_at": "2022-09-04T14:38:47.080262Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n4.775316 -0.007849 -1.612882\n-1.255368 4.734347 -1.244509\n-0.036629 0.072067 7.593426\nLi Mn Co O\n5 3 2 10\ndirect\n0.092555 0.799261 0.583538 Li\n0.715362 0.616927 0.223986 Li\n0.500000 0.500001 0.500001 Li\n0.284639 0.383074 0.776015 Li\n0.907446 0.200740 0.416463 Li\n0.500000 -0.000000 0.000000 Mn\n0.108150 0.311877 0.110349 Mn\n0.891850 0.688124 0.889652 Mn\n0.697711 0.100010 0.696520 Co\n0.302289 0.899991 0.303481 Co\n0.710662 0.329995 0.953983 O\n0.908904 0.931709 0.143265 O\n0.289338 0.670006 0.046018 O\n0.680052 0.870425 0.454521 O\n0.524455 0.768680 0.761947 O\n0.113519 0.557751 0.337903 O\n0.886481 0.442250 0.662098 O\n0.475545 0.231321 0.238054 O\n0.319948 0.129576 0.545480 O\n0.091096 0.068292 0.856736 O\n",
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{
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"structure_string": "Ba1 Sb1 I1\n1.0\n6.201977 0.000000 -0.000000\n-3.100989 5.371070 0.000000\n-0.000000 -0.000000 3.829396\nBa Sb I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.000000 Sb\n0.333333 0.666667 0.000000 I\n",
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{
"id": "jvasp-117957",
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"structure_string": "Ca2 C1\n1.0\n3.943290 0.334740 -0.215501\n-1.713462 -3.549073 -0.421288\n-0.186721 -1.451086 -5.667978\nCa C\n2 1\ndirect\n0.206584 0.625327 0.218756 Ca\n0.679721 0.571647 0.799416 Ca\n0.943147 0.098468 0.009095 C\n",
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{
"id": "jvasp-117008",
"created_at": "2022-09-04T14:38:47.071494Z",
"updated_at": "2022-09-04T14:38:47.071519Z",
"structure_string": "Nb1 Al2 Ni9\n1.0\n3.608229 0.000000 0.000000\n0.000000 3.608229 0.000000\n-0.000000 -0.000000 10.662668\nNb Al Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.339923 Al\n0.000000 0.000000 0.660078 Al\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.336662 Ni\n0.500000 0.500000 0.663338 Ni\n0.500000 0.000000 0.172307 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.827693 Ni\n-0.000000 0.500000 0.172307 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.827693 Ni\n",
"nsites": 12,
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"elements": [
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{
"id": "jvasp-116919",
"created_at": "2022-09-04T14:38:47.070806Z",
"updated_at": "2022-09-04T14:38:47.070845Z",
"structure_string": "Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n",
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{
"id": "jvasp-115561",
"created_at": "2022-09-04T14:38:47.069618Z",
"updated_at": "2022-09-04T14:38:47.069652Z",
"structure_string": "Ba1 Tl1 Cl1\n1.0\n0.000000 3.920264 3.920264\n3.920264 0.000000 3.920264\n3.920264 3.920264 -0.000000\nBa Tl Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.499999 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-114043",
"created_at": "2022-09-04T14:38:47.067299Z",
"updated_at": "2022-09-04T14:38:47.067327Z",
"structure_string": "Ba1 Ge1 O1\n1.0\n5.002400 0.000000 0.000000\n-2.501200 4.332205 -0.000000\n-0.000000 -0.000000 3.748604\nBa Ge O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.000000 Ge\n0.666667 0.333334 0.000000 O\n",
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{
"id": "jvasp-120287",
"created_at": "2022-09-04T14:38:47.061087Z",
"updated_at": "2022-09-04T14:38:47.061104Z",
"structure_string": "Li1 Nb1 Se1\n1.0\n2.790008 0.000000 0.000000\n0.000000 2.790008 -0.000000\n-0.000000 -0.000000 7.770930\nLi Nb Se\n1 1 1\ndirect\n0.000000 0.000000 0.322732 Li\n0.000000 0.000000 0.675018 Nb\n0.000000 0.000000 0.010340 Se\n",
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{
"id": "jvasp-120589",
"created_at": "2022-09-04T14:38:47.059237Z",
"updated_at": "2022-09-04T14:38:47.059263Z",
"structure_string": "Cu2 Ni4 O8\n1.0\n5.772485 -0.000000 0.000000\n-2.886243 4.081763 2.886243\n-0.000000 -0.000000 5.772485\nCu Ni O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.500000 0.250000 Cu\n0.625001 0.250000 0.125000 Ni\n0.625001 0.250000 0.625001 Ni\n0.625001 0.749999 0.625000 Ni\n0.125000 0.749999 0.625000 Ni\n0.835220 0.223479 0.388261 O\n0.388261 0.223479 0.388261 O\n0.861740 0.276521 0.861740 O\n0.861740 0.723478 0.414781 O\n0.414782 0.276521 0.861740 O\n0.861740 0.723478 0.861740 O\n0.388261 0.776520 0.388261 O\n0.388261 0.776520 0.835220 O\n",
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{
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"created_at": "2022-09-04T14:38:47.054799Z",
"updated_at": "2022-09-04T14:38:47.054826Z",
"structure_string": "Lu6 Th2\n1.0\n7.007651 -0.000000 0.000000\n-3.503825 6.068804 0.000000\n-0.000000 0.000000 5.596733\nLu Th\n6 2\ndirect\n0.166072 0.332145 0.250000 Lu\n0.667854 0.833927 0.250000 Lu\n0.166072 0.833927 0.250000 Lu\n0.833926 0.667854 0.750000 Lu\n0.332145 0.166073 0.750000 Lu\n0.833927 0.166073 0.750000 Lu\n0.333333 0.666666 0.750000 Th\n0.666666 0.333333 0.250000 Th\n",
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{
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"updated_at": "2022-09-04T14:38:47.054436Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.934230 0.107820 0.108805\n0.864238 4.247128 0.327416\n0.182309 -0.054297 17.237840\nCd H C O\n1 20 12 4\ndirect\n0.142620 0.869914 0.859101 Cd\n0.000092 0.724713 0.533426 H\n0.025394 0.204228 0.607217 H\n0.492815 0.199148 0.015477 H\n0.631390 0.208198 0.189979 H\n0.209744 0.236287 0.155932 H\n0.393630 0.213372 0.326971 H\n0.964762 0.257341 0.295272 H\n0.183447 0.210605 0.466577 H\n0.750874 0.253904 0.437211 H\n0.894564 0.172901 0.059229 H\n0.590347 0.217923 0.583755 H\n0.654851 0.720211 0.110563 H\n0.247720 0.721756 0.071437 H\n0.430643 0.725475 0.251183 H\n0.006124 0.759729 0.217405 H\n0.212470 0.725371 0.392673 H\n0.781739 0.767713 0.361982 H\n0.790758 0.740352 0.670823 H\n0.371148 0.671980 0.664398 H\n0.564784 0.747904 0.508438 H\n0.792388 0.501298 0.961777 C\n0.666623 0.342181 0.034596 C\n0.485216 0.564635 0.095834 C\n0.394082 0.379658 0.169797 C\n0.243444 0.585935 0.236596 C\n0.157145 0.392236 0.309473 C\n0.772599 0.367277 0.594808 C\n0.943657 0.389085 0.451022 C\n0.814304 0.579347 0.521772 C\n0.648256 0.551201 0.666778 C\n0.710485 0.357073 0.743989 C\n0.020390 0.589973 0.378598 C\n0.063049 0.359518 0.925378 O\n0.530529 0.448100 0.803939 O\n0.959311 0.106429 0.745834 O\n0.637768 0.786469 0.938882 O\n",
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"structure_string": "Na4 V4 O12\n1.0\n3.615116 -0.000000 0.000000\n0.000000 5.267566 0.000000\n-0.000000 -0.000000 14.363307\nNa V O\n4 4 12\ndirect\n0.250000 0.866408 0.330294 Na\n0.750001 0.133592 0.669706 Na\n0.750001 0.366408 0.169706 Na\n0.250000 0.633593 0.830294 Na\n0.750001 0.089163 0.915498 V\n0.250000 0.910837 0.084502 V\n0.250000 0.589164 0.584502 V\n0.750001 0.410837 0.415498 V\n0.250000 0.600932 0.103934 O\n0.250000 0.899069 0.603934 O\n0.750001 0.935601 0.812632 O\n0.750001 0.564400 0.312632 O\n0.750001 -0.006504 0.052505 O\n0.750001 0.100932 0.396067 O\n0.750001 0.506504 0.552505 O\n0.250000 0.493496 0.447495 O\n0.250000 0.064399 0.187368 O\n0.250000 0.435601 0.687368 O\n0.750001 0.399068 0.896067 O\n0.250000 0.006504 0.947495 O\n",
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}
]
}