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"id": "jvasp-119545",
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"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.499597 0.019473 0.630674\n-1.258904 5.808342 -1.355900\n-0.183575 0.157725 9.293835\nLi Fe P O\n4 4 4 16\ndirect\n0.320095 0.333939 0.030771 Li\n0.679924 0.666064 0.969225 Li\n0.845556 0.516875 0.272207 Li\n0.154442 0.483103 0.727794 Li\n0.221782 -0.001347 0.743852 Fe\n0.783630 0.851749 0.661987 Fe\n0.778218 0.001337 0.256152 Fe\n0.216372 0.148262 0.338005 Fe\n0.662804 0.297972 0.567694 P\n0.337188 0.702038 0.432305 P\n0.805604 0.189487 0.948782 P\n0.194404 0.810507 0.051219 P\n0.812887 0.540757 0.629524 O\n0.187101 0.459257 0.370467 O\n0.395226 0.253780 0.637717 O\n0.604771 0.746218 0.362287 O\n0.819991 0.133564 0.596926 O\n0.180015 0.866457 0.403074 O\n0.696755 0.934159 0.878206 O\n0.641488 0.343737 0.921201 O\n0.162158 0.785201 0.883156 O\n0.837835 0.214784 0.116845 O\n0.074596 0.253647 0.875308 O\n0.925416 0.746341 0.124694 O\n0.640621 0.263080 0.396984 O\n0.358538 0.656270 0.078800 O\n0.303245 0.065841 0.121790 O\n0.359367 0.736918 0.603015 O\n",
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{
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{
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"structure_string": "B2 Rh2\n1.0\n-1.490387 -2.582365 0.000000\n-1.490387 2.582365 -0.000000\n0.000000 0.000000 -5.546046\nB Rh\n2 2\ndirect\n0.666711 0.333291 0.750001 B\n0.333291 0.666711 0.250000 B\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "V6 O8 F4\n1.0\n5.511441 0.000839 0.049979\n1.326424 5.363417 0.042144\n2.036725 1.591846 6.526452\nV O F\n6 8 4\ndirect\n0.499999 0.500000 -0.000000 V\n0.864226 0.800922 0.169288 V\n0.500000 0.500001 0.500000 V\n0.834069 0.816191 0.677651 V\n0.165931 0.183810 0.322348 V\n0.135773 0.199080 0.830711 V\n0.859964 0.471923 0.834798 O\n0.140036 0.528079 0.165201 O\n0.738287 0.735912 0.465965 O\n0.398286 0.400735 0.799691 O\n0.261713 0.264089 0.534034 O\n0.601714 0.599266 0.200309 O\n0.933120 0.938076 0.865279 O\n0.066880 0.061926 0.134720 O\n0.460490 0.869956 0.833826 F\n0.539510 0.130046 0.166173 F\n0.200246 0.799584 0.499705 F\n0.799754 0.200417 0.500295 F\n",
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{
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"created_at": "2022-09-04T14:35:53.627246Z",
"updated_at": "2022-09-04T14:35:53.627273Z",
"structure_string": "Li12 Au4 O12\n1.0\n3.551483 0.000000 0.000000\n0.000000 9.172870 -0.000000\n0.000000 -0.000000 9.172870\nLi Au O\n12 4 12\ndirect\n0.000000 0.590398 0.140539 Li\n0.500000 0.359461 0.090398 Li\n0.500000 0.640539 0.909602 Li\n0.000000 0.409602 0.859461 Li\n0.500000 0.090398 0.359461 Li\n0.500000 0.909602 0.640539 Li\n0.000000 0.140539 0.590398 Li\n0.000000 0.859461 0.409602 Li\n0.000000 0.167311 0.167311 Li\n0.500000 0.332689 0.667311 Li\n0.500000 0.667311 0.332689 Li\n0.000000 0.832689 0.832689 Li\n0.500000 0.118573 0.881427 Au\n0.000000 0.618573 0.618573 Au\n0.500000 0.881427 0.118573 Au\n0.000000 0.381427 0.381427 Au\n0.000000 0.393262 0.606738 O\n0.000000 0.162296 0.380437 O\n0.500000 0.119563 0.662296 O\n0.500000 0.880437 0.337704 O\n0.000000 0.837704 0.619563 O\n0.500000 0.662296 0.119563 O\n0.500000 0.337704 0.880437 O\n0.000000 0.380437 0.162296 O\n0.000000 0.619563 0.837704 O\n0.500000 0.106738 0.106738 O\n0.000000 0.606738 0.393262 O\n0.500000 0.893262 0.893262 O\n",
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{
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"created_at": "2022-09-04T14:38:34.140645Z",
"updated_at": "2022-09-04T14:38:34.140669Z",
"structure_string": "Sc2 H2 O2\n1.0\n3.599232 0.000000 0.000000\n0.000000 3.599232 0.000000\n0.000000 0.000000 4.943024\nSc H O\n2 2 2\ndirect\n0.000000 0.499999 0.713212 Sc\n0.499999 0.000000 0.286787 Sc\n0.000000 0.000000 0.000000 H\n0.499999 0.499999 0.000000 H\n0.499999 0.499999 0.499999 O\n0.000000 0.000000 0.499999 O\n",
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{
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{
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"structure_string": "Si1 C3\n1.0\n-1.277095 1.277095 6.543134\n1.277095 -1.277095 6.543134\n1.277095 1.277095 -6.543134\nSi C\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750001 0.250000 0.500001 C\n0.250000 0.750001 0.500001 C\n0.500000 0.500000 0.000000 C\n",
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{
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"structure_string": "Mn2 Ni2 P4 O16\n1.0\n0.000000 4.679634 -0.018743\n5.649534 0.000000 0.000000\n0.000000 0.018531 -9.687163\nMn Ni P O\n2 2 4 16\ndirect\n0.052926 0.749999 0.272833 Mn\n0.947073 0.250000 0.727167 Mn\n0.561028 0.250000 0.231488 Ni\n0.438971 0.749999 0.768512 Ni\n0.621402 0.749999 0.089863 P\n0.102475 0.250000 0.414209 P\n0.897524 0.749999 0.585791 P\n0.378597 0.250000 0.910137 P\n0.218132 0.041924 0.831703 O\n0.218132 0.458075 0.831703 O\n0.746046 0.534652 0.662054 O\n0.746046 0.965347 0.662054 O\n0.217873 0.749999 0.600226 O\n0.182530 0.250000 0.568958 O\n0.817468 0.749999 0.431041 O\n0.781867 0.541924 0.168296 O\n0.253953 0.465347 0.337945 O\n0.253953 0.034652 0.337945 O\n0.700751 0.250000 0.879336 O\n0.781867 0.958075 0.168296 O\n0.299247 0.749999 0.120663 O\n0.327067 0.250000 0.063422 O\n0.782126 0.250000 0.399773 O\n0.672932 0.749999 0.936578 O\n",
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{
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]
}