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{
"id": "jvasp-28811",
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{
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"structure_string": "Sb8 O12\n1.0\n4.946477 -0.000000 0.000000\n-0.000000 5.460648 0.000000\n0.000000 0.000000 12.487174\nSb O\n8 12\ndirect\n0.961640 0.177439 0.872764 Sb\n0.461640 0.322561 0.127236 Sb\n0.538361 0.177439 0.627236 Sb\n0.038360 0.322561 0.372764 Sb\n0.038360 0.822561 0.127236 Sb\n0.538361 0.677439 0.872764 Sb\n0.461640 0.822561 0.372764 Sb\n0.961640 0.677439 0.627236 Sb\n0.644558 0.348824 0.942131 O\n0.144558 0.151177 0.057868 O\n0.144558 0.651177 0.442132 O\n0.644558 0.848824 0.557868 O\n0.355443 0.651177 0.057868 O\n0.250000 0.489782 0.250000 O\n0.750000 0.510218 0.750000 O\n0.250000 0.989783 0.250000 O\n0.355443 0.151177 0.442132 O\n0.750000 0.010218 0.750000 O\n0.855443 0.848824 0.942131 O\n0.855443 0.348824 0.557868 O\n",
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{
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"structure_string": "Sb8 O12\n1.0\n4.946369 0.000000 0.000000\n-0.000000 5.460806 0.000000\n0.000000 0.000000 12.487156\nSb O\n8 12\ndirect\n0.961639 0.177440 0.872767 Sb\n0.461639 0.322560 0.127234 Sb\n0.538361 0.177440 0.627234 Sb\n0.038361 0.322560 0.372766 Sb\n0.038361 0.822560 0.127234 Sb\n0.538361 0.677441 0.872767 Sb\n0.461639 0.822560 0.372766 Sb\n0.961639 0.677441 0.627234 Sb\n0.644561 0.348836 0.942133 O\n0.144561 0.151165 0.057868 O\n0.144561 0.651165 0.442132 O\n0.644561 0.848836 0.557868 O\n0.355439 0.651165 0.057868 O\n0.250000 0.489755 0.250000 O\n0.750000 0.510246 0.750000 O\n0.250000 0.989755 0.250000 O\n0.355439 0.151165 0.442132 O\n0.750000 0.010245 0.750000 O\n0.855439 0.848836 0.942133 O\n0.855439 0.348836 0.557868 O\n",
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{
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"created_at": "2022-09-04T14:37:29.583249Z",
"updated_at": "2022-09-04T14:37:29.583283Z",
"structure_string": "B8 Cl8\n1.0\n7.992376 0.000000 0.000000\n0.000000 7.992376 -0.000000\n0.000000 -0.000000 5.280633\nB Cl\n8 8\ndirect\n0.394704 0.500000 0.886703 B\n0.000000 0.894704 0.386703 B\n0.000000 0.105296 0.386703 B\n0.500000 0.605297 0.113297 B\n0.500000 0.394704 0.113297 B\n0.605297 0.500000 0.886703 B\n0.894704 0.000000 0.613296 B\n0.105296 0.000000 0.613296 B\n0.500000 0.778884 0.306799 Cl\n0.278883 0.000000 0.806799 Cl\n0.721117 0.000000 0.806799 Cl\n0.000000 0.278883 0.193201 Cl\n0.000000 0.721117 0.193201 Cl\n0.500000 0.221117 0.306799 Cl\n0.778884 0.500000 0.693200 Cl\n0.221117 0.500000 0.693200 Cl\n",
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{
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"structure_string": "Cd5 Te4 S1\n1.0\n4.540808 0.003857 18.300277\n2.239752 3.949995 18.300277\n0.006615 0.003857 18.855212\nCd Te S\n5 4 1\ndirect\n0.994960 0.994961 0.994962 Cd\n0.604922 0.604923 0.604923 Cd\n0.202379 0.202379 0.202379 Cd\n0.799898 0.799899 0.799899 Cd\n0.397396 0.397397 0.397397 Cd\n0.553921 0.553922 0.553923 Te\n0.151589 0.151589 0.151589 Te\n0.749117 0.749119 0.749119 Te\n0.346654 0.346655 0.346655 Te\n0.949155 0.949157 0.949157 S\n",
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{
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"created_at": "2022-09-04T14:38:36.342802Z",
"updated_at": "2022-09-04T14:38:36.342831Z",
"structure_string": "Rb4 Li4 H16 N8\n1.0\n3.824168 -0.000000 0.000000\n0.000000 7.738761 0.000000\n0.000000 0.000000 11.401553\nRb Li H N\n4 4 16 8\ndirect\n0.750000 0.872015 0.741381 Rb\n0.250000 0.127985 0.258618 Rb\n0.750000 0.372015 0.758618 Rb\n0.250000 0.627985 0.241382 Rb\n0.750000 0.614413 0.000662 Li\n0.250000 0.385587 0.999338 Li\n0.750000 0.114413 0.499338 Li\n0.250000 0.885587 0.500662 Li\n0.958957 0.405800 0.429648 H\n0.458957 0.594200 0.570352 H\n0.541043 0.905800 0.070352 H\n0.041043 0.094200 0.929648 H\n0.041043 0.594200 0.570352 H\n0.541043 0.405800 0.429648 H\n0.458957 0.094200 0.929648 H\n0.958957 0.905800 0.070352 H\n0.250000 0.741192 0.936911 H\n0.750000 0.258808 0.063089 H\n0.250000 0.241192 0.563088 H\n0.750000 0.758808 0.436911 H\n0.250000 0.624189 0.818599 H\n0.750000 0.375811 0.181401 H\n0.250000 0.124189 0.681401 H\n0.750000 0.875811 0.318599 H\n0.750000 0.885621 0.409009 N\n0.250000 0.114379 0.590991 N\n0.750000 0.385621 0.090991 N\n0.250000 0.614379 0.909009 N\n0.750000 0.840991 0.107403 N\n0.250000 0.159009 0.892597 N\n0.750000 0.340991 0.392597 N\n0.250000 0.659009 0.607403 N\n",
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{
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"created_at": "2022-09-04T14:35:50.608585Z",
"updated_at": "2022-09-04T14:35:50.608612Z",
"structure_string": "Rb4 Ta4 O12\n1.0\n6.451388 0.011081 0.429999\n0.756654 6.406871 0.429999\n0.034657 0.030859 8.169351\nRb Ta O\n4 4 12\ndirect\n0.768688 0.231313 0.500000 Rb\n0.231312 0.768687 0.500000 Rb\n0.336096 0.336095 0.239023 Rb\n0.663905 0.663904 0.760978 Rb\n0.261481 0.261481 0.801831 Ta\n0.810530 0.189470 0.000000 Ta\n0.189470 0.810530 0.000000 Ta\n0.738519 0.738519 0.198169 Ta\n0.953145 0.288836 0.786979 O\n0.711164 0.046855 0.213021 O\n0.122288 0.122288 0.052825 O\n0.666938 0.666938 0.413825 O\n0.333062 0.333062 0.586175 O\n0.453180 0.772906 0.103760 O\n0.227094 0.546819 0.896240 O\n0.546820 0.227094 0.896240 O\n0.772907 0.453181 0.103760 O\n0.877712 0.877712 0.947175 O\n0.288836 0.953145 0.786979 O\n0.046855 0.711164 0.213021 O\n",
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{
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"created_at": "2022-09-04T14:38:07.536456Z",
"updated_at": "2022-09-04T14:38:07.536482Z",
"structure_string": "Sr7 H12 Cl2\n1.0\n4.980159 -8.625888 0.000000\n4.980159 8.625888 0.000000\n-0.000000 -0.000000 3.927506\nSr H Cl\n7 12 2\ndirect\n0.783723 0.050185 0.500000 Sr\n0.362656 0.921206 0.000000 Sr\n0.078794 0.441450 0.000000 Sr\n0.558550 0.637344 0.000000 Sr\n0.666667 0.333333 0.000000 Sr\n0.266462 0.216277 0.500000 Sr\n0.949815 0.733538 0.500000 Sr\n0.092002 0.698826 0.000000 H\n0.301174 0.393176 0.000000 H\n0.606824 0.907998 0.000000 H\n0.824182 0.214243 0.000000 H\n0.390062 0.175818 0.000000 H\n0.785757 0.609939 0.000000 H\n0.227072 0.943044 0.500000 H\n0.056956 0.284028 0.500000 H\n0.563547 0.116862 0.500000 H\n0.553316 0.436453 0.500000 H\n0.883138 0.446685 0.500000 H\n0.715972 0.772928 0.500000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
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"structure_string": "Ba3 Nb1 Ga3 Si2 O14\n1.0\n4.302892 -7.452827 0.000000\n4.302892 7.452827 -0.000000\n0.000000 -0.000000 5.261464\nBa Nb Ga Si O\n3 1 3 2 14\ndirect\n0.568625 0.568625 0.000000 Ba\n-0.000000 0.431375 0.000000 Ba\n0.431375 -0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Nb\n0.256300 0.256300 0.500000 Ga\n-0.000000 0.743700 0.500000 Ga\n0.743700 -0.000000 0.500000 Ga\n0.666667 0.333333 0.520678 Si\n0.333333 0.666667 0.479321 Si\n0.474744 0.298964 0.648099 O\n0.666667 0.333333 0.214568 O\n0.333333 0.666667 0.785431 O\n0.175781 0.701036 0.351900 O\n0.525255 0.824219 0.351900 O\n0.298964 0.474744 0.351900 O\n0.111484 0.892686 0.773096 O\n0.892686 0.111484 0.226903 O\n0.888516 0.781202 0.226903 O\n0.701036 0.175781 0.648099 O\n0.781202 0.888516 0.773096 O\n0.107314 0.218798 0.773096 O\n0.218798 0.107314 0.226903 O\n0.824219 0.525255 0.648099 O\n",
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{
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"created_at": "2022-09-04T14:38:13.993049Z",
"updated_at": "2022-09-04T14:38:13.993065Z",
"structure_string": "Mo3 W1 Se8\n1.0\n3.327432 0.000000 0.000000\n-1.663716 2.881666 -0.000013\n0.000000 -0.000171 35.201578\nMo W Se\n3 1 8\ndirect\n0.333303 0.666607 0.094881 Mo\n0.666674 0.333349 0.281884 Mo\n0.666690 0.333381 0.656831 Mo\n0.333331 0.666664 0.469320 W\n0.333346 0.666696 0.329420 Se\n0.333357 0.666717 0.704319 Se\n0.666642 0.333283 0.047394 Se\n0.666667 0.333335 0.421522 Se\n0.666637 0.333273 0.142428 Se\n0.666670 0.333341 0.517120 Se\n0.333328 0.666660 0.234344 Se\n0.333350 0.666704 0.609286 Se\n",
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}