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"id": "jvasp-50748",
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{
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"structure_string": "Ti1 Mn3 O8\n1.0\n4.872974 -0.127417 2.701160\n1.532426 4.627503 2.701160\n-0.181365 -0.127417 5.568594\nTi Mn O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.000000 Mn\n0.499999 -0.000001 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.738175 0.738174 0.738175 O\n0.242735 0.242735 0.730236 O\n0.242736 0.730235 0.242735 O\n0.261825 0.261825 0.261825 O\n0.730235 0.242735 0.242736 O\n0.757265 0.757264 0.269765 O\n0.757264 0.269763 0.757265 O\n0.269764 0.757263 0.757265 O\n",
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{
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"created_at": "2022-09-04T14:36:15.468127Z",
"updated_at": "2022-09-04T14:36:15.468159Z",
"structure_string": "Be2 Fe1 Ir1\n1.0\n-1.717591 1.717591 3.675937\n1.717591 -1.717591 3.675937\n1.717591 1.717591 -3.675937\nBe Fe Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.500000 Ir\n",
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{
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"created_at": "2022-09-04T14:37:50.204732Z",
"updated_at": "2022-09-04T14:37:50.204756Z",
"structure_string": "La1 H3\n1.0\n-1.964235 1.964235 2.810720\n1.964235 -1.964235 2.810720\n1.964235 1.964235 -2.810720\nLa H\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.749998 0.249999 0.499998 H\n0.249999 0.749998 0.499998 H\n0.500000 0.500000 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:36:55.517749Z",
"updated_at": "2022-09-04T14:36:55.517771Z",
"structure_string": "Mg3 N1 F3\n1.0\n4.234149 0.000000 0.000000\n0.000000 4.234149 0.000000\n0.000000 0.000000 4.234149\nMg N F\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:37:09.847458Z",
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"structure_string": "V6 O7 F5\n1.0\n4.638686 -0.020689 0.011970\n0.067230 5.567259 0.029575\n0.108735 0.559621 7.561286\nV O F\n6 7 5\ndirect\n0.480246 0.859863 0.664516 V\n0.490031 0.493692 0.997168 V\n0.546951 0.156560 0.343147 V\n0.026909 0.332222 0.663812 V\n0.945350 0.656040 0.322551 V\n0.007893 0.000707 0.004768 V\n0.194918 0.296780 0.899016 O\n0.301389 0.797022 0.893541 O\n0.301503 0.138474 0.564746 O\n0.695182 0.199462 0.107564 O\n0.793017 0.696248 0.099714 O\n0.805101 0.368827 0.436848 O\n0.704944 0.863181 0.437039 O\n0.207738 0.956397 0.239708 F\n0.798149 0.042541 0.767860 F\n0.702332 0.541473 0.759747 F\n0.294631 0.460534 0.240051 F\n0.203729 0.639977 0.558201 F\n",
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{
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"created_at": "2022-09-04T14:36:41.257980Z",
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"structure_string": "H10 C12 S4 N2\n1.0\n5.205299 0.038452 -0.466141\n-2.632139 6.402841 -2.490116\n-0.040112 0.035340 9.070974\nH C S N\n10 12 4 2\ndirect\n0.891709 0.863493 0.913295 H\n0.391708 0.363493 0.413295 H\n0.955327 0.506465 0.297093 H\n0.455328 0.006466 0.797093 H\n0.775503 0.663834 0.108301 H\n0.275504 0.163835 0.608301 H\n0.563807 0.655044 0.820975 H\n0.063806 0.155043 0.320975 H\n0.378240 0.185979 0.087226 H\n0.878241 0.685979 0.587226 H\n0.418939 0.064168 0.293863 C\n0.918939 0.564168 0.793862 C\n0.277192 0.219911 0.306166 C\n0.777192 0.719911 0.806166 C\n0.639548 0.860320 0.605054 C\n0.139547 0.360320 0.105055 C\n0.391958 0.062900 0.574770 C\n0.961966 0.508052 0.923900 C\n0.891957 0.562899 0.074770 C\n0.486424 0.979942 0.675833 C\n0.986423 0.479941 0.175833 C\n0.461966 0.008052 0.423901 C\n0.029830 0.465491 0.626358 S\n0.529829 0.965490 0.126358 S\n0.152874 0.347368 0.910178 S\n0.652874 0.847368 0.410178 S\n0.273895 0.262069 0.161041 N\n0.773896 0.762069 0.661041 N\n",
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{
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"structure_string": "Li2 V1 F4\n1.0\n5.156880 0.041755 0.000000\n1.912138 4.789456 0.000000\n0.000000 0.000000 3.083262\nLi V F\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.240609 0.240609 0.000000 F\n0.237757 0.762244 0.500000 F\n0.762243 0.237758 0.500000 F\n0.759391 0.759392 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:36:03.311480Z",
"updated_at": "2022-09-04T14:36:03.311505Z",
"structure_string": "Be2 Si1 Rh1\n1.0\n-1.738489 1.738489 3.587685\n1.738489 -1.738489 3.587685\n1.738489 1.738489 -3.587685\nBe Si Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500000 Be\n0.750001 0.250000 0.500000 Si\n0.500001 0.500001 0.000000 Rh\n",
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{
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"updated_at": "2022-09-04T14:38:03.885784Z",
"structure_string": "Mg2 H4 Se2 O10\n1.0\n5.140130 -0.070889 -1.584292\n-1.308487 4.971299 -1.584292\n-0.003978 -0.005088 7.669200\nMg H Se O\n2 4 2 10\ndirect\n-0.000000 -0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.631904 0.032486 0.201921 H\n0.467513 0.868096 0.298079 H\n0.368095 0.967514 0.798079 H\n0.532486 0.131904 0.701921 H\n0.914454 0.585545 0.750000 Se\n0.085545 0.414455 0.250000 Se\n0.186176 0.287997 0.422901 O\n0.813489 0.246757 0.651297 O\n0.746757 0.313489 0.151297 O\n0.186510 0.753242 0.348703 O\n0.377392 0.122607 0.750000 O\n0.622607 0.877392 0.250000 O\n0.787997 0.686176 0.922901 O\n0.813823 0.712002 0.577099 O\n0.212002 0.313824 0.077099 O\n0.253242 0.686510 0.848703 O\n",
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{
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"structure_string": "Mn1 F2\n1.0\n2.993578 0.000000 0.000000\n0.000000 2.425902 0.000000\n0.000000 0.000000 4.479256\nMn F\n1 2\ndirect\n0.466673 0.000000 0.000000 Mn\n-0.033336 0.000000 0.253147 F\n-0.033336 0.000000 0.746855 F\n",
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}