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{
"id": "jvasp-18289",
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{
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{
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"structure_string": "Li2 Cu1 Bi1 O4\n1.0\n-5.396482 0.347642 0.000000\n-1.673649 2.676006 3.156280\n-1.673649 2.676006 -3.156280\nLi Cu Bi O\n2 1 1 4\ndirect\n0.500000 0.750001 0.250001 Li\n-0.000000 0.500001 0.500001 Li\n0.500000 0.250001 0.750001 Cu\n0.000000 0.000000 0.000000 Bi\n0.970810 0.014595 0.514595 O\n0.510775 0.744613 0.744613 O\n0.489225 0.255388 0.255388 O\n0.029190 0.485406 0.985406 O\n",
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{
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"created_at": "2022-09-04T14:37:29.518014Z",
"updated_at": "2022-09-04T14:37:29.518042Z",
"structure_string": "Li3 V6 O9 F9\n1.0\n4.996811 -0.024065 0.001560\n2.339293 4.423479 -0.002597\n0.628263 0.187146 13.324195\nLi V O F\n3 6 9 9\ndirect\n0.647994 0.674062 0.884384 Li\n0.964061 0.030852 0.217285 Li\n0.314336 0.355453 0.551901 Li\n0.673287 0.685690 0.670285 V\n0.625360 0.681337 0.157952 V\n0.025717 0.973870 0.001841 V\n0.367761 0.297926 0.825479 V\n0.318286 0.377580 0.337528 V\n0.016570 0.987783 0.492802 V\n0.088237 0.265700 0.421617 O\n0.270536 0.058771 0.913787 O\n0.261865 0.681125 0.415268 O\n0.327393 0.734475 0.082383 O\n0.433613 0.582610 0.756124 O\n0.602785 0.394164 0.248537 O\n0.613216 0.993264 0.750105 O\n0.749676 0.910071 0.085011 O\n0.937938 0.727683 0.581246 O\n0.014384 0.378612 0.746690 F\n0.949593 0.321338 0.088700 F\n0.690223 0.344298 0.579015 F\n0.346880 0.013450 0.246619 F\n0.662580 0.294656 0.922526 F\n0.325420 0.974218 0.587875 F\n0.662084 0.067056 0.416149 F\n0.028418 0.665222 0.911040 F\n0.983050 0.648186 0.253689 F\n",
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{
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{
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"structure_string": "Be4 Ag2\n1.0\n3.920691 0.000000 2.263611\n1.306897 3.696462 2.263611\n0.000000 0.000000 4.527222\nBe Ag\n4 2\ndirect\n0.500000 -0.000000 0.500000 Be\n0.000001 0.500000 0.499999 Be\n0.500000 0.500000 0.499999 Be\n0.500000 0.500000 -0.000000 Be\n0.125000 0.125000 0.125000 Ag\n0.875001 0.874999 0.874999 Ag\n",
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{
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"created_at": "2022-09-04T14:38:51.744820Z",
"updated_at": "2022-09-04T14:38:51.744838Z",
"structure_string": "Fe10 O9 F11\n1.0\n15.284831 -0.000000 0.000000\n0.000000 4.642577 0.175101\n-0.000000 0.019894 4.623642\nFe O F\n10 9 11\ndirect\n-0.000000 0.000950 0.971284 Fe\n0.208643 0.974478 0.011064 Fe\n0.402076 0.966858 0.005000 Fe\n0.597924 0.966858 0.005000 Fe\n0.791356 0.974478 0.011064 Fe\n0.092285 0.504953 0.472422 Fe\n0.500000 0.558491 0.510928 Fe\n0.299706 0.545898 0.502023 Fe\n0.700294 0.545898 0.502023 Fe\n0.907715 0.504953 0.472422 Fe\n-0.000000 0.296159 0.682267 O\n0.803079 0.692761 0.296694 O\n0.598269 0.699648 0.318955 O\n0.401731 0.699648 0.318955 O\n0.196921 0.692761 0.296694 O\n-0.000000 0.707332 0.263687 O\n0.703633 0.799916 0.812111 O\n0.500000 0.800581 0.812215 O\n0.296367 0.799916 0.812111 O\n0.100507 0.798699 0.782766 F\n0.899493 0.798699 0.782766 F\n0.199382 0.287455 0.706481 F\n0.399483 0.298977 0.716402 F\n0.600517 0.298977 0.716402 F\n0.800618 0.287455 0.706481 F\n0.105574 0.184908 0.180939 F\n0.500000 0.206323 0.214458 F\n0.303357 0.210530 0.217716 F\n0.894426 0.184908 0.180939 F\n0.696643 0.210530 0.217716 F\n",
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{
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"created_at": "2022-09-04T14:35:57.704881Z",
"updated_at": "2022-09-04T14:35:57.704897Z",
"structure_string": "Li2 Ti3 V3 O12\n1.0\n5.106353 0.018203 -0.019972\n1.724757 5.724442 -0.076109\n1.784504 1.178871 7.468301\nLi Ti V O\n2 3 3 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.508782 0.667177 0.835224 Ti\n0.491218 0.332822 0.164776 Ti\n0.499999 -0.000000 0.500000 Ti\n0.997376 0.839072 0.661602 V\n0.000000 0.500000 -0.000000 V\n0.002624 0.160928 0.338398 V\n0.271455 0.306470 0.406586 O\n0.260911 0.643772 0.068590 O\n0.754141 0.146658 0.569862 O\n0.761129 0.464606 0.240619 O\n0.238871 0.535393 0.759381 O\n0.259835 0.970292 0.742397 O\n0.739088 0.356228 0.931410 O\n0.728544 0.693530 0.593414 O\n0.740164 0.029707 0.257603 O\n0.769351 0.806775 0.904443 O\n0.245858 0.853341 0.430138 O\n0.230649 0.193224 0.095557 O\n",
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{
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"structure_string": "H8 C20 S4 O4\n1.0\n3.628492 0.200610 0.523315\n2.505790 9.294313 2.109155\n1.266155 -0.334381 11.954303\nH C S O\n8 20 4 4\ndirect\n0.320476 0.609795 0.298983 H\n0.820014 0.609841 0.799049 H\n0.570512 0.109776 0.549018 H\n0.070547 0.109791 0.048994 H\n0.193954 0.863180 0.172270 H\n0.693108 0.863251 0.672377 H\n0.443813 0.363159 0.422298 H\n-0.056124 0.363187 0.922291 H\n0.377093 0.710691 0.438194 C\n0.877213 0.710697 0.938198 C\n0.627076 0.210703 0.688215 C\n0.127400 0.210677 0.188176 C\n0.226792 0.107390 0.291433 C\n-0.023132 0.607392 0.041426 C\n0.726506 0.107423 0.791473 C\n0.006634 0.452355 0.067327 C\n0.476409 0.607418 0.541463 C\n0.506273 0.452372 0.567357 C\n0.756247 0.952389 0.817376 C\n0.256477 0.952361 0.317335 C\n0.813188 0.706921 0.829637 C\n0.563431 0.206882 0.579617 C\n0.063612 0.206882 0.079589 C\n0.313468 0.706888 0.329588 C\n0.743865 0.845466 0.760376 C\n0.494212 0.345413 0.510334 C\n-0.005601 0.345418 0.010314 C\n0.244334 0.845421 0.260308 C\n0.346625 0.883730 0.455854 S\n0.846818 0.883729 0.955851 S\n0.596516 0.383753 0.705869 S\n0.096982 0.383714 0.205826 S\n0.797832 0.158824 0.868293 O\n0.547507 0.658839 0.618313 O\n0.048326 0.658780 0.118229 O\n0.298082 0.158787 0.368262 O\n",
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{
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{
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"structure_string": "Mn2 Be1 Rh1\n1.0\n-1.644863 1.644863 4.041092\n1.644863 -1.644863 4.041092\n1.644863 1.644863 -4.041092\nMn Be Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Rh\n",
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}