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{
"id": "jvasp-89067",
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{
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{
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"structure_string": "As8 O12\n1.0\n0.000000 4.545976 -0.014216\n12.898827 0.000000 0.000000\n0.000000 -4.103400 -5.372803\nAs O\n8 12\ndirect\n0.639569 0.851797 0.139525 As\n0.360433 0.351797 0.360475 As\n0.360432 0.148203 0.860475 As\n0.639569 0.648204 0.639525 As\n0.773425 0.596584 0.232434 As\n0.226577 0.096584 0.267567 As\n0.226577 0.403416 0.767566 As\n0.773424 0.903416 0.732434 As\n0.375115 0.284081 0.944985 O\n0.624886 0.784081 0.555015 O\n0.479714 0.597698 0.332720 O\n0.520287 0.097698 0.167281 O\n0.520287 0.402302 0.667280 O\n0.832763 0.138881 0.957254 O\n0.167238 0.861119 0.042746 O\n0.832763 0.361119 0.457255 O\n0.375115 0.215919 0.444985 O\n0.167238 0.638881 0.542746 O\n0.479714 0.902302 0.832720 O\n0.624886 0.715920 0.055015 O\n",
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{
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"updated_at": "2022-09-04T14:38:46.544977Z",
"structure_string": "Sm2 Mg2 Mn2 S8\n1.0\n6.722572 -0.000830 4.046217\n2.303770 6.179938 3.772421\n0.011081 -0.014425 7.602307\nSm Mg Mn S\n2 2 2 8\ndirect\n0.500002 0.500005 0.499993 Sm\n-0.000003 0.499997 0.500007 Sm\n0.874291 0.875874 0.875625 Mg\n0.125712 0.124124 0.124373 Mg\n0.499997 0.499999 -0.000002 Mn\n0.500001 0.000005 0.499998 Mn\n0.708845 0.761082 0.761056 S\n0.270870 0.227845 0.729828 S\n0.271489 0.729726 0.227896 S\n0.730793 0.238679 0.239232 S\n0.728501 0.270277 0.772104 S\n0.269209 0.761318 0.760771 S\n0.291154 0.238910 0.238955 S\n0.729137 0.772161 0.270169 S\n",
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{
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"created_at": "2022-09-04T14:38:43.998609Z",
"updated_at": "2022-09-04T14:38:43.998625Z",
"structure_string": "Cr4 In1 Ag1 Se8\n1.0\n6.619830 0.000000 3.821961\n2.206610 6.241236 3.821961\n-0.000000 -0.000000 7.643921\nCr In Ag Se\n4 1 1 8\ndirect\n0.379082 0.379082 0.379082 Cr\n0.379082 0.862754 0.379081 Cr\n0.862753 0.379082 0.379082 Cr\n0.379082 0.379082 0.862753 Cr\n0.000000 0.000000 0.000000 In\n0.750000 0.750001 0.750000 Ag\n0.140307 0.140307 0.140307 Se\n0.140307 0.579077 0.140307 Se\n0.579077 0.140307 0.140307 Se\n0.140307 0.140307 0.579077 Se\n0.610986 0.610986 0.610985 Se\n0.610986 0.167044 0.610985 Se\n0.167044 0.610986 0.610985 Se\n0.610986 0.610986 0.167044 Se\n",
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{
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"created_at": "2022-09-04T14:37:57.490873Z",
"updated_at": "2022-09-04T14:37:57.490897Z",
"structure_string": "Ba4 Pr2 Ru2 O12\n1.0\n0.000000 6.105699 0.020347\n6.044988 0.000000 0.000000\n0.000000 -6.123193 -8.577819\nBa Pr Ru O\n4 2 2 12\ndirect\n0.749262 0.499967 0.251644 Ba\n0.250738 -0.000033 0.248356 Ba\n0.250738 0.500033 0.748356 Ba\n0.749263 0.000033 0.751644 Ba\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 -0.000000 Pr\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.180144 0.500028 0.227763 O\n0.819856 0.000028 0.272237 O\n0.251964 0.729904 0.025065 O\n0.748036 0.229904 0.474934 O\n0.748036 0.270096 0.974934 O\n0.748114 0.729988 0.974930 O\n0.251886 0.270012 0.025070 O\n0.748114 0.770012 0.474930 O\n0.180144 -0.000028 0.727763 O\n0.251886 0.229988 0.525070 O\n0.251965 0.770096 0.525065 O\n0.819856 0.499973 0.772237 O\n",
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{
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"created_at": "2022-09-04T14:38:51.609455Z",
"updated_at": "2022-09-04T14:38:51.609475Z",
"structure_string": "Nd1 Sn7\n1.0\n6.810276 0.000000 -0.000000\n-0.000000 6.810276 -0.000000\n0.000000 -0.000000 6.810276\nNd Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Nd\n0.260903 0.260903 0.760904 Sn\n0.000000 0.500000 0.000000 Sn\n0.260903 0.739097 0.239097 Sn\n0.500000 0.000000 0.000000 Sn\n0.739097 0.260903 0.239097 Sn\n0.500000 0.500000 0.500000 Sn\n0.739097 0.739097 0.760904 Sn\n",
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{
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"structure_string": "H20 C18\n1.0\n5.205596 -0.187631 -1.378512\n-1.258828 6.280549 -0.159138\n-0.405847 -0.255027 9.860636\nH C\n20 18\ndirect\n0.730180 0.512744 0.167065 H\n0.533345 0.830875 0.827265 H\n0.750066 0.566060 0.407100 H\n0.250074 0.566062 0.907103 H\n0.053087 0.883924 0.566969 H\n0.553091 0.883928 0.066974 H\n0.113261 0.191425 0.207889 H\n0.613274 0.191428 0.707886 H\n0.240216 0.186752 0.487629 H\n0.740227 0.186748 -0.012373 H\n0.033331 0.830873 0.327262 H\n0.154999 0.152612 0.760364 H\n0.654993 0.152612 0.260371 H\n0.894288 0.405069 0.744729 H\n0.394276 0.405066 0.244728 H\n0.230186 0.512748 0.667070 H\n0.563270 0.064521 0.409655 H\n0.565733 0.369216 0.901505 H\n0.065730 0.369222 0.401507 H\n0.063284 0.064526 0.909651 H\n0.413055 0.592972 0.645719 C\n0.465371 0.515418 0.524369 C\n0.913052 0.592969 0.145715 C\n0.309052 0.260805 0.287525 C\n0.809063 0.260806 0.787523 C\n0.816147 0.882996 0.708357 C\n0.316141 0.882997 0.208358 C\n0.965375 0.515417 0.024367 C\n0.200013 0.621637 0.999226 C\n0.372120 0.802850 0.089830 C\n0.700012 0.621638 0.499225 C\n0.260822 0.327207 0.426950 C\n0.760831 0.327207 0.926950 C\n0.481597 0.092437 0.297374 C\n0.981605 0.092437 0.797370 C\n0.083899 0.772070 0.235843 C\n0.872123 0.802850 0.589829 C\n0.583908 0.772073 0.735847 C\n",
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{
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"created_at": "2022-09-04T14:38:45.792149Z",
"updated_at": "2022-09-04T14:38:45.792169Z",
"structure_string": "Rb2 Ce1 Ag1 Cl6\n1.0\n6.620291 -0.000000 3.822227\n2.206764 6.241670 3.822227\n-0.000000 -0.000000 7.644454\nRb Ce Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.751757 0.248243 0.248243 Cl\n0.248243 0.248243 0.751757 Cl\n0.248243 0.751757 0.751757 Cl\n0.248243 0.751757 0.248244 Cl\n0.751757 0.248243 0.751757 Cl\n0.751756 0.751757 0.248244 Cl\n",
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{
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"created_at": "2022-09-04T14:37:40.071877Z",
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"structure_string": "Li8 B4 Pd12\n1.0\n6.810537 -0.000000 -0.000000\n0.000000 6.810537 -0.000000\n0.000000 0.000000 6.810537\nLi B Pd\n8 4 12\ndirect\n0.303766 0.303766 0.303766 Li\n0.053765 0.446235 0.553766 Li\n0.553766 0.053765 0.446235 Li\n0.446235 0.553766 0.053765 Li\n0.196235 0.696235 0.803766 Li\n0.946235 0.946235 0.946235 Li\n0.803766 0.196235 0.696235 Li\n0.696235 0.803766 0.196235 Li\n0.625000 0.625000 0.625000 B\n0.125000 0.875000 0.375000 B\n0.875000 0.375000 0.125000 B\n0.375000 0.125000 0.875000 B\n0.125000 0.306750 0.943251 Pd\n0.193251 0.056750 0.625000 Pd\n0.443251 0.375000 0.693251 Pd\n0.056750 0.625000 0.193251 Pd\n0.943251 0.125000 0.306750 Pd\n0.306750 0.943251 0.125000 Pd\n0.693251 0.443251 0.375000 Pd\n0.556750 0.875000 0.806750 Pd\n0.625000 0.193251 0.056750 Pd\n0.375000 0.693251 0.443251 Pd\n0.875000 0.806750 0.556750 Pd\n0.806750 0.556750 0.875000 Pd\n",
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{
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"updated_at": "2022-09-04T14:36:02.593127Z",
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}