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{
"id": "jvasp-57404",
"created_at": "2022-09-04T14:38:33.843377Z",
"updated_at": "2022-09-04T14:38:33.843390Z",
"structure_string": "K4 Li2 V2 O8\n1.0\n5.688623 0.007788 0.019785\n0.439412 5.671631 0.019785\n0.004035 0.003739 7.520222\nK Li V O\n4 2 2 8\ndirect\n0.702403 0.702405 0.824954 K\n0.784067 0.215933 0.500001 K\n0.297595 0.297596 0.175047 K\n0.215932 0.784068 0.500001 K\n0.823373 0.176626 0.000001 Li\n0.176626 0.823374 0.000001 Li\n0.713782 0.713783 0.245399 V\n0.286216 0.286217 0.754602 V\n0.205040 0.569027 0.829125 O\n0.092924 0.092925 0.840722 O\n0.569026 0.205042 0.829125 O\n0.907074 0.907075 0.159279 O\n0.279235 0.279235 0.524252 O\n0.430972 0.794959 0.170876 O\n0.794958 0.430973 0.170876 O\n0.720764 0.720765 0.475749 O\n",
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{
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{
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"structure_string": "K2 Se6\n1.0\n-0.000000 -5.385399 -0.000000\n8.307272 -2.692700 -4.068385\n4.626407 -2.692700 3.157990\nK Se\n2 6\ndirect\n-0.014296 0.249697 0.610783 K\n0.846183 0.750302 0.389218 K\n0.304262 0.491977 0.737121 Se\n0.533359 0.508023 0.262880 Se\n0.193178 0.863800 0.737036 Se\n0.794013 0.136200 0.262965 Se\n0.266743 0.199341 0.072472 Se\n0.538558 0.800658 -0.072471 Se\n",
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{
"id": "jvasp-10659",
"created_at": "2022-09-04T14:37:19.416412Z",
"updated_at": "2022-09-04T14:37:19.416437Z",
"structure_string": "Tm5 Re2 O12\n1.0\n5.609601 0.000000 0.000000\n-2.804801 5.828875 -1.880725\n0.000000 -0.003647 7.422091\nTm Re O\n5 2 12\ndirect\n0.500000 -0.000000 0.500000 Tm\n0.814617 0.629234 0.177564 Tm\n0.185383 0.370765 0.822437 Tm\n0.197770 0.395540 0.359586 Tm\n0.802229 0.604459 0.640414 Tm\n0.715615 0.000000 0.000000 Re\n0.284385 0.000000 0.000000 Re\n0.094299 0.693357 0.428026 O\n0.502522 0.005044 0.791177 O\n0.412883 0.335646 0.087510 O\n0.000902 0.001806 0.181829 O\n0.400942 0.306642 0.571975 O\n0.905700 0.306642 0.571975 O\n0.599057 0.693357 0.428026 O\n0.922763 0.335646 0.087510 O\n0.587116 0.664352 0.912491 O\n0.077237 0.664352 0.912491 O\n0.999097 0.998193 0.818171 O\n0.497477 0.994954 0.208823 O\n",
"nsites": 19,
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"elements": [
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{
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"created_at": "2022-09-04T14:35:42.440158Z",
"updated_at": "2022-09-04T14:35:42.440169Z",
"structure_string": "Ba4 Zr1 Be1\n1.0\n0.000000 4.950744 4.950744\n4.950744 -0.000000 4.950744\n4.950744 4.950744 0.000000\nBa Zr Be\n4 1 1\ndirect\n0.125711 0.624763 0.624763 Ba\n0.624763 0.624763 0.624763 Ba\n0.624763 0.125711 0.624763 Ba\n0.624763 0.624763 0.125711 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Be\n",
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{
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"created_at": "2022-09-04T14:36:56.634717Z",
"updated_at": "2022-09-04T14:36:56.634746Z",
"structure_string": "Pr4 Mg2 Si4\n1.0\n7.413635 -0.000000 0.000000\n0.000000 7.413635 0.000000\n0.000000 -0.000000 4.415634\nPr Mg Si\n4 2 4\ndirect\n0.680437 0.180437 0.500000 Pr\n0.319564 0.819564 0.500000 Pr\n0.180437 0.319564 0.500000 Pr\n0.819564 0.680437 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115174 0.615174 -0.000000 Si\n0.884827 0.384826 -0.000000 Si\n0.615174 0.884827 -0.000000 Si\n0.384826 0.115174 -0.000000 Si\n",
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{
"id": "jvasp-103990",
"created_at": "2022-09-04T14:36:50.000781Z",
"updated_at": "2022-09-04T14:36:50.000803Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960950 -0.000582 -0.002379\n-1.979375 5.898601 -1.563372\n0.004987 -0.052042 10.401862\nSn H C Cl\n2 8 4 4\ndirect\n0.974004 0.964871 0.728478 Sn\n0.966969 0.964889 0.228481 Sn\n0.152677 0.786663 0.411856 H\n0.330287 0.143687 0.045198 H\n0.610942 0.786123 0.911820 H\n0.788501 0.143063 0.545055 H\n0.257015 0.193855 0.550343 H\n0.911886 0.193613 0.050294 H\n0.029401 0.736282 0.906689 H\n0.684142 0.735787 0.406603 H\n0.944386 0.867089 0.418850 C\n-0.003269 0.062592 0.538086 C\n0.041726 0.062728 0.038119 C\n0.899482 0.867124 0.918868 C\n0.327734 0.662814 0.138060 Cl\n0.629692 0.266964 0.318917 Cl\n0.311402 0.662779 0.638081 Cl\n0.613376 0.266962 0.818860 Cl\n",
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"formula_full": "Sn2 H8 C4 Cl4",
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{
"id": "jvasp-116514",
"created_at": "2022-09-04T14:38:49.051666Z",
"updated_at": "2022-09-04T14:38:49.051676Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.321220 -0.026237 0.000000\n-1.941855 6.015622 0.000000\n-0.000000 -0.000000 6.390945\nLi Mn F\n4 4 12\ndirect\n0.499997 0.500002 0.750001 Li\n0.000072 0.999927 0.250000 Li\n0.500002 0.499997 0.250000 Li\n0.999927 0.000072 0.750001 Li\n0.500000 -0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.806986 0.551404 0.250000 F\n0.551403 0.806986 0.750001 F\n0.136375 0.863624 -0.000014 F\n0.863624 0.136375 0.499987 F\n0.863624 0.136375 0.000014 F\n0.192996 0.448663 0.250000 F\n0.193013 0.448596 0.750001 F\n0.448596 0.193013 0.250000 F\n0.551336 0.807003 0.250000 F\n0.448663 0.192996 0.750001 F\n0.136375 0.863624 0.500014 F\n0.807003 0.551336 0.750001 F\n",
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{
"id": "jvasp-101970",
"created_at": "2022-09-04T14:37:03.550194Z",
"updated_at": "2022-09-04T14:37:03.550214Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960457 0.004963 0.004854\n1.969007 5.897743 1.593839\n-0.011826 0.021973 10.401788\nSn H C Cl\n2 8 4 4\ndirect\n0.987391 0.972480 0.270653 Sn\n0.980478 0.972513 0.770646 Sn\n0.926828 0.743377 0.592761 H\n0.697436 0.201401 0.948589 H\n0.270439 0.743570 0.092719 H\n0.040989 0.201640 0.448533 H\n0.623504 0.150405 0.453914 H\n0.165962 0.150728 0.953876 H\n0.801903 0.794244 0.087432 H\n0.344328 0.794602 0.587377 H\n0.055611 0.874801 0.580355 C\n0.912221 0.070208 0.460938 C\n0.957744 0.070220 0.960942 C\n0.010127 0.874749 0.080365 C\n0.643079 0.670444 0.861298 Cl\n0.341333 0.274573 0.679986 Cl\n0.626510 0.670419 0.361319 Cl\n0.324768 0.274539 0.179989 Cl\n",
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"structure_string": "Ba4 Cr1 Co1\n1.0\n-0.000000 4.951019 4.951019\n4.951019 0.000000 4.951019\n4.951019 4.951019 0.000000\nBa Cr Co\n4 1 1\ndirect\n0.126420 0.624527 0.624527 Ba\n0.624527 0.624527 0.624527 Ba\n0.624527 0.126420 0.624527 Ba\n0.624527 0.624527 0.126420 Ba\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Co\n",
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{
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"created_at": "2022-09-04T14:36:05.612715Z",
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{
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"created_at": "2022-09-04T14:36:15.731594Z",
"updated_at": "2022-09-04T14:36:15.731620Z",
"structure_string": "Na8 Mn2 O8\n1.0\n5.607796 -0.001814 0.023008\n2.159542 5.414326 0.042317\n2.827471 0.700783 8.009434\nNa Mn O\n8 2 8\ndirect\n0.641614 0.002216 0.819506 Na\n0.115117 0.505323 0.869549 Na\n0.676386 0.552920 0.685485 Na\n0.202901 0.049763 0.635445 Na\n0.741000 0.043030 0.422463 Na\n0.924233 0.530144 0.276001 Na\n0.393793 0.024949 0.228974 Na\n0.577012 0.512084 0.082535 Na\n0.007430 0.996456 0.005129 Mn\n0.310565 0.558657 0.499853 Mn\n0.862009 0.251295 0.870579 O\n0.322107 0.784175 0.900780 O\n-0.004099 0.770951 0.604202 O\n0.455963 0.303820 0.634411 O\n0.513469 0.757247 0.450678 O\n0.319820 0.383432 0.345619 O\n0.804552 0.797843 0.054301 O\n-0.001826 0.171680 0.159364 O\n",
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]
}