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"id": "jvasp-116647",
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"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n6.208415 -0.009773 2.135893\n-3.117452 5.308051 2.283173\n-0.122867 -0.009777 6.564403\nSr Ca Mn O\n2 2 4 12\ndirect\n0.500003 0.000003 -0.000003 Sr\n0.000002 0.000003 0.499997 Sr\n0.499989 0.499983 0.499988 Ca\n-0.000008 0.499984 -0.000011 Ca\n0.500017 -0.000014 0.499976 Mn\n0.000018 0.499997 0.499966 Mn\n0.000018 -0.000014 -0.000024 Mn\n0.500019 0.499998 -0.000035 Mn\n0.750005 0.296491 0.453513 O\n0.249990 0.296484 0.953533 O\n0.038849 0.788858 0.250010 O\n0.538840 0.788860 0.750018 O\n-0.038864 0.211150 0.750014 O\n0.250005 0.500006 0.250026 O\n0.749983 -0.000008 0.250019 O\n0.250000 0.000022 0.750005 O\n0.750004 0.703523 0.046481 O\n0.749988 0.500003 0.750011 O\n0.461142 0.211149 0.250009 O\n0.249989 0.703518 0.546501 O\n",
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"structure_string": "Li2 V6 O4 F12\n1.0\n5.116882 0.000882 0.086645\n0.026188 6.918328 1.383090\n-0.053077 0.007276 7.380869\nLi V O F\n2 6 4 12\ndirect\n0.227839 0.166502 0.165131 Li\n0.772161 0.833498 0.834868 Li\n0.279776 0.665634 0.180694 V\n0.756663 0.826645 0.322325 V\n0.253757 0.683378 0.683596 V\n0.746243 0.316623 0.316404 V\n0.243337 0.173356 0.677675 V\n0.720223 0.334367 0.819305 V\n0.865121 0.070111 0.315571 O\n0.408415 0.427688 0.701090 O\n0.591584 0.572313 0.298909 O\n0.134879 0.929889 0.684428 O\n0.058884 0.193179 0.917081 F\n0.422674 0.926807 0.191854 F\n0.941116 0.806822 0.082918 F\n0.091185 0.683912 0.428325 F\n0.079050 0.422164 0.187459 F\n0.573692 0.311562 0.072049 F\n0.592851 0.797621 0.572084 F\n0.407148 0.202380 0.427916 F\n0.426307 0.688438 0.927951 F\n0.920949 0.577837 0.812541 F\n0.908814 0.316088 0.571675 F\n0.577326 0.073194 0.808145 F\n",
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{
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"created_at": "2022-09-04T14:38:16.531504Z",
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"structure_string": "Nd1 Co1 O3\n1.0\n3.789746 -0.000000 0.000000\n0.000000 3.789746 0.000000\n0.000000 -0.000000 3.789746\nNd Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Co\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:56.975062Z",
"updated_at": "2022-09-04T14:36:56.975078Z",
"structure_string": "As2 Pd1 O6\n1.0\n2.464149 -4.268032 0.000000\n2.464149 4.268032 -0.000000\n0.000000 0.000000 4.657731\nAs Pd O\n2 1 6\ndirect\n0.333333 0.666667 0.500000 As\n0.666667 0.333333 0.500000 As\n0.000000 0.000000 0.000000 Pd\n0.371135 0.371135 0.721667 O\n0.628865 0.000000 0.721667 O\n0.000000 0.628865 0.721667 O\n0.371135 0.000000 0.278333 O\n0.000000 0.371135 0.278333 O\n0.628865 0.628865 0.278333 O\n",
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{
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"updated_at": "2022-09-04T14:37:15.106789Z",
"structure_string": "Mn1\n1.0\n-1.396082 -1.396082 1.396082\n-1.396082 1.396082 -1.396082\n1.396082 -1.396082 -1.396082\nMn\n1\ndirect\n0.000000 0.000000 0.000000 Mn\n",
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{
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"created_at": "2022-09-04T14:38:11.943675Z",
"updated_at": "2022-09-04T14:38:11.943695Z",
"structure_string": "Ta4 N4 O4\n1.0\n0.000000 5.001667 -0.007149\n5.067416 0.000000 0.000000\n0.000000 -0.872501 -5.151402\nTa N O\n4 4 4\ndirect\n0.706703 0.544908 0.283715 Ta\n0.293298 0.044908 0.216285 Ta\n0.293298 0.455093 0.716284 Ta\n0.706703 0.955093 0.783715 Ta\n0.557149 0.256093 0.020419 N\n0.442852 0.756094 0.479581 N\n0.442852 0.743908 0.979581 N\n0.557149 0.243907 0.520418 N\n0.937202 0.673574 0.653825 O\n0.062799 0.173573 0.846174 O\n0.062799 0.326427 0.346175 O\n0.937202 0.826427 0.153825 O\n",
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{
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"created_at": "2022-09-04T14:38:11.844283Z",
"updated_at": "2022-09-04T14:38:11.844305Z",
"structure_string": "K1 Li6 Bi1 O6\n1.0\n5.362400 -0.002026 -1.091621\n-1.335840 5.193349 -1.091621\n-0.001571 -0.002026 5.472383\nK Li Bi O\n1 6 1 6\ndirect\n0.500000 0.499999 0.500000 K\n0.344970 -0.000001 0.655030 Li\n0.000000 0.655030 0.344970 Li\n0.344970 0.655030 0.000000 Li\n0.000000 0.344970 0.655030 Li\n0.655030 -0.000001 0.344970 Li\n0.655030 0.344970 0.000000 Li\n0.000000 0.000000 0.000000 Bi\n0.904605 0.281851 0.281852 O\n0.281852 0.904605 0.281852 O\n0.718148 0.718147 0.095394 O\n0.095394 0.718147 0.718148 O\n0.718148 0.095393 0.718148 O\n0.281852 0.281851 0.904605 O\n",
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{
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}