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{
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"structure_string": "Sr2 C1 N2 Cl2\n1.0\n4.242814 0.000000 0.000000\n-2.121407 4.804322 -0.674457\n0.000000 -0.025833 7.264811\nSr C N Cl\n2 1 2 2\ndirect\n0.682537 0.365077 0.270076 Sr\n0.317462 0.634924 0.729923 Sr\n0.000000 0.000000 0.500000 C\n0.114917 0.229833 0.445517 N\n0.885082 0.770167 0.554483 N\n0.371304 0.742608 0.148939 Cl\n0.628695 0.257392 0.851061 Cl\n",
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{
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"structure_string": "Sr4 Br1 N2 Cl1\n1.0\n3.859758 -0.006495 13.999188\n1.889078 3.365881 13.999188\n-0.011114 -0.006495 14.521531\nSr Br N Cl\n4 1 2 1\ndirect\n0.383479 0.383480 0.383478 Sr\n0.887394 0.887395 0.887390 Sr\n0.112607 0.112607 0.112607 Sr\n0.616522 0.616522 0.616519 Sr\n0.500001 0.500001 0.499998 Br\n0.748023 0.748024 0.748020 N\n0.251978 0.251978 0.251977 N\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-26408",
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"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
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{
"id": "jvasp-26348",
"created_at": "2022-09-04T14:37:41.760807Z",
"updated_at": "2022-09-04T14:37:41.760837Z",
"structure_string": "Sr2 Bi2 Cl2 O4\n1.0\n5.662214 0.000005 0.000029\n-0.000008 5.227719 -2.406063\n0.000035 -0.017206 6.844751\nSr Bi Cl O\n2 2 2 4\ndirect\n0.249998 0.609980 0.219951 Sr\n0.750002 0.390021 0.780049 Sr\n0.750001 0.083830 0.167655 Bi\n0.250000 0.916171 0.832345 Bi\n0.750000 0.744804 0.489594 Cl\n0.250000 0.255196 0.510406 Cl\n0.500001 0.236275 0.000006 O\n-0.000001 0.236272 0.000001 O\n0.000001 0.763728 -0.000001 O\n0.499998 0.763726 -0.000004 O\n",
"nsites": 10,
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{
"id": "jvasp-26404",
"created_at": "2022-09-04T14:37:41.146082Z",
"updated_at": "2022-09-04T14:37:41.146102Z",
"structure_string": "Sr2 Bi2 Br2 O4\n1.0\n0.000000 5.821195 0.000064\n5.724296 0.000000 0.000000\n0.000000 -2.910537 -6.413681\nSr Bi Br O\n2 2 2 4\ndirect\n0.603686 0.750001 0.207356 Sr\n0.396315 0.250000 0.792644 Sr\n0.080608 0.250000 0.161230 Bi\n0.919393 0.750001 0.838770 Bi\n0.254910 0.750001 0.509858 Br\n0.745090 0.250000 0.490142 Br\n0.764853 0.000000 0.999990 O\n0.235148 0.500001 0.000011 O\n0.235148 -0.000000 0.000011 O\n0.764853 0.500000 0.999990 O\n",
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{
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"created_at": "2022-09-04T14:38:28.922773Z",
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"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
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"formula_full": "Sr2 Bi4 B8 O20",
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{
"id": "jvasp-34597",
"created_at": "2022-09-04T14:37:11.768161Z",
"updated_at": "2022-09-04T14:37:11.768171Z",
"structure_string": "Sr4 Be4 B4 O14\n1.0\n2.358381 -4.084836 0.000000\n2.358381 4.084836 -0.000000\n0.000000 0.000000 15.495386\nSr Be B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.602045 Be\n0.333333 0.666667 0.397955 Be\n0.333333 0.666667 0.102045 Be\n0.333333 0.666667 0.897955 Be\n0.666667 0.333333 0.635758 B\n0.666667 0.333333 0.864243 B\n0.666667 0.333333 0.135758 B\n0.666667 0.333333 0.364242 B\n0.392236 0.025002 0.863229 O\n0.974998 0.607763 0.136771 O\n0.392236 0.367234 0.136771 O\n0.333333 0.666667 0.500000 O\n0.632766 0.025002 0.363229 O\n0.632766 0.025002 0.136771 O\n0.974998 0.367233 0.636771 O\n0.392236 0.367234 0.363229 O\n0.974998 0.607763 0.363229 O\n0.632766 0.607764 0.636771 O\n0.392236 0.025002 0.636771 O\n0.974998 0.367233 0.863229 O\n0.632766 0.607764 0.863229 O\n0.333333 0.666667 0.000000 O\n",
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{
"id": "jvasp-10547",
"created_at": "2022-09-04T14:37:09.748263Z",
"updated_at": "2022-09-04T14:37:09.748273Z",
"structure_string": "Sr6 B2 P2 O6\n1.0\n2.643352 -4.578419 -0.000000\n2.643352 4.578419 0.000000\n-0.000000 0.000000 12.670607\nSr B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.400274 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.900274 Sr\n0.666667 0.333333 0.599727 Sr\n0.333333 0.666667 0.099727 Sr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.515385 0.484614 0.250000 O\n0.969229 0.484614 0.250000 O\n0.484614 0.969229 0.750000 O\n0.515385 0.030771 0.250000 O\n0.030771 0.515385 0.750000 O\n0.484614 0.515385 0.750000 O\n",
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"formula_full": "Sr6 B2 P2 O6",
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{
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"created_at": "2022-09-04T14:37:50.218487Z",
"updated_at": "2022-09-04T14:37:50.218505Z",
"structure_string": "Sr3 B3 P3 O15\n1.0\n3.441639 -5.961093 0.000000\n3.441639 5.961093 -0.000000\n0.000000 0.000000 6.857818\nSr B P O\n3 3 3 15\ndirect\n0.000000 0.605448 0.166667 Sr\n0.605448 0.000000 0.833333 Sr\n0.394552 0.394552 0.500000 Sr\n0.900748 0.900748 0.500000 B\n0.000000 0.099252 0.166667 B\n0.099252 0.000000 0.833333 B\n0.000000 0.593479 0.666667 P\n0.593479 0.000000 0.333333 P\n0.406521 0.406521 0.000000 P\n0.588239 0.450970 0.146481 O\n0.187867 0.338540 0.127597 O\n0.661460 0.849327 0.460930 O\n0.150673 0.812133 0.794264 O\n0.849327 0.661460 0.539070 O\n0.812133 0.150673 0.205737 O\n0.044044 0.000000 0.333333 O\n0.137269 0.549030 0.520185 O\n0.411762 0.862731 0.186852 O\n0.450970 0.588239 0.853519 O\n0.549030 0.137269 0.479815 O\n0.955956 0.955956 0.000000 O\n0.000000 0.044044 0.666667 O\n0.338540 0.187867 0.872403 O\n0.862731 0.411762 0.813148 O\n",
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{
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"created_at": "2022-09-04T14:38:04.669517Z",
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"structure_string": "Sr8 B4 N8 F4\n1.0\n3.907777 0.000000 0.000000\n0.000000 9.894139 0.000000\n0.000000 0.000000 10.238087\nSr B N F\n8 4 8 4\ndirect\n0.250000 0.677379 0.019529 Sr\n0.750001 0.822622 0.519529 Sr\n0.250000 0.177379 0.480472 Sr\n0.750001 0.322622 0.980472 Sr\n0.250000 0.526126 0.660904 Sr\n0.750001 0.473874 0.339096 Sr\n0.250000 0.026126 0.839096 Sr\n0.750001 0.973874 0.160904 Sr\n0.250000 0.228634 0.172917 B\n0.750001 0.771366 0.827083 B\n0.250000 0.728634 0.327083 B\n0.750001 0.271366 0.672917 B\n0.250000 0.647252 0.433394 N\n0.750001 0.352748 0.566606 N\n0.250000 0.147252 0.066606 N\n0.750001 0.182970 0.771133 N\n0.250000 0.317030 0.271133 N\n0.750001 0.682970 0.728868 N\n0.250000 0.817030 0.228868 N\n0.750001 0.852748 0.933395 N\n0.250000 0.453739 0.898396 F\n0.750001 0.546261 0.101604 F\n0.750001 0.046261 0.398396 F\n0.250000 0.953739 0.601604 F\n",
"nsites": 24,
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},
{
"id": "jvasp-55622",
"created_at": "2022-09-04T14:37:14.835289Z",
"updated_at": "2022-09-04T14:37:14.835313Z",
"structure_string": "Sr8 B4 N8 Cl4\n1.0\n4.161049 -0.000000 0.000000\n-0.000000 9.268974 0.000000\n0.000000 0.000000 12.428391\nSr B N Cl\n8 4 8 4\ndirect\n0.250000 0.882013 0.587069 Sr\n0.250000 0.617986 0.087069 Sr\n0.750000 0.382014 0.912931 Sr\n0.750000 0.117986 0.412931 Sr\n0.750000 0.942194 0.829958 Sr\n0.250000 0.057806 0.170042 Sr\n0.250000 0.442194 0.670042 Sr\n0.750000 0.557805 0.329958 Sr\n0.250000 0.828243 0.333969 B\n0.750000 0.171756 0.666031 B\n0.750000 0.328244 0.166031 B\n0.250000 0.671756 0.833969 B\n0.750000 0.301130 0.714074 N\n0.250000 0.698870 0.285926 N\n0.250000 0.801129 0.785926 N\n0.750000 0.462225 0.122904 N\n0.750000 0.037775 0.622904 N\n0.250000 0.962224 0.377096 N\n0.250000 0.537775 0.877096 N\n0.750000 0.198870 0.214074 N\n0.250000 0.145109 0.937721 Cl\n0.750000 0.854890 0.062279 Cl\n0.250000 0.354891 0.437721 Cl\n0.750000 0.645109 0.562279 Cl\n",
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"elements": [
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"volume": 479.34632460612926,
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{
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"created_at": "2022-09-04T14:36:37.711988Z",
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"structure_string": "Sr2 B5 H2 O11\n1.0\n4.021415 4.054197 -3.124082\n-4.021415 4.054197 3.124082\n0.016811 0.000000 6.378080\nSr B H O\n2 5 2 11\ndirect\n0.838086 0.243831 0.086048 Sr\n0.243831 0.838087 0.913951 Sr\n0.749860 0.897658 0.743962 B\n0.897658 0.749860 0.256038 B\n0.653373 0.653373 0.500000 B\n0.809460 0.336791 0.496091 B\n0.336790 0.809460 0.503909 B\n0.301481 0.373652 0.744883 H\n0.373652 0.301482 0.255117 H\n0.497522 0.911251 0.665483 O\n0.911251 0.497523 0.334516 O\n0.899464 0.899464 -0.000000 O\n0.799668 0.693057 0.737061 O\n0.401203 0.690197 0.416209 O\n0.108137 0.825012 0.450104 O\n0.825012 0.108137 0.549896 O\n0.690197 0.401203 0.583791 O\n0.386151 0.243313 0.916092 O\n0.693057 0.799668 0.262939 O\n0.243313 0.386151 0.083908 O\n",
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]
}