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"id": "jvasp-42370",
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"structure_string": "Fe8 O12 F4\n1.0\n0.000000 -0.000000 -5.780669\n4.603219 4.603219 0.000000\n4.312315 -4.312315 2.890335\nFe O F\n8 12 4\ndirect\n0.500045 0.031707 0.000091 Fe\n0.000045 0.968294 0.000091 Fe\n0.749965 0.500000 0.999932 Fe\n0.249965 0.500000 0.999932 Fe\n0.500033 -0.000000 0.500066 Fe\n0.000033 0.000000 0.500066 Fe\n0.749954 0.531707 0.499908 Fe\n0.249954 0.468293 0.499908 Fe\n0.751763 0.809698 0.503528 O\n0.597875 0.500000 0.695752 O\n0.097875 0.500000 0.695752 O\n0.902213 0.500000 0.304426 O\n0.402213 0.500000 0.304426 O\n0.152123 0.000000 0.804247 O\n0.251763 0.190302 0.503528 O\n0.998235 0.690302 0.996470 O\n0.498235 0.309698 0.996470 O\n0.847786 -0.000000 0.195574 O\n0.347786 -0.000000 0.195574 O\n0.652123 -0.000000 0.804247 O\n0.748247 0.224279 0.496495 F\n0.001753 0.275721 0.003505 F\n0.501753 0.724279 0.003505 F\n0.248246 0.775722 0.496495 F\n",
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"structure_string": "Li8 Fe2 O8\n1.0\n-5.206470 -0.127989 -0.199660\n1.891316 5.136684 -0.117818\n-0.422023 -1.868760 -6.441440\nLi Fe O\n8 2 8\ndirect\n0.252607 0.799427 0.677908 Li\n0.760892 0.859958 0.517142 Li\n0.749244 0.921361 0.973164 Li\n0.827833 0.582132 0.165064 Li\n0.172166 0.417867 0.834936 Li\n0.250754 0.078638 0.026837 Li\n0.239106 0.140041 0.482858 Li\n0.747391 0.200573 0.322092 Li\n0.712960 0.451245 0.732791 Fe\n0.287038 0.548754 0.267209 Fe\n0.600351 0.816626 0.238650 O\n0.084776 0.745694 0.410357 O\n0.009696 0.296448 0.098290 O\n0.455031 0.315159 0.273828 O\n0.544968 0.684840 0.726172 O\n0.990302 0.703552 0.901710 O\n0.915223 0.254305 0.589644 O\n0.399647 0.183374 0.761350 O\n",
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{
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"updated_at": "2022-09-04T14:37:00.836474Z",
"structure_string": "H14 Br2 O6\n1.0\n6.108026 0.000000 0.003661\n-0.012891 2.913432 5.910865\n-0.012891 -2.913432 5.910865\nH Br O\n14 2 6\ndirect\n0.489405 0.774668 0.047946 H\n0.231239 0.315740 0.235306 H\n0.254125 0.209904 0.075055 H\n0.803328 0.239165 0.317206 H\n0.776627 0.080398 0.201425 H\n0.303328 0.817206 0.739166 H\n0.034719 0.722207 0.710684 H\n0.534719 0.210683 0.222207 H\n0.754125 0.575055 0.709904 H\n0.731239 0.735307 0.815741 H\n0.012006 0.276325 0.551626 H\n0.989405 0.547945 0.274668 H\n0.512006 0.051626 0.776325 H\n0.276627 0.701425 0.580399 H\n0.503557 0.502548 0.499032 Br\n0.003557 -0.000969 0.002548 Br\n0.698237 0.125466 0.303915 O\n0.501390 0.865312 0.860448 O\n0.001389 0.360447 0.365312 O\n0.834276 0.622763 0.807122 O\n0.198237 0.803916 0.625467 O\n0.334276 0.307122 0.122762 O\n",
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"structure_string": "Li3 Ti2 V2 O8\n1.0\n5.909084 0.000214 0.001220\n-2.954375 -5.098756 0.023043\n-2.953572 1.686607 -4.769126\nLi Ti V O\n3 2 2 8\ndirect\n0.500000 0.500001 0.500001 Li\n0.000000 0.500000 0.500001 Li\n0.500000 0.500001 0.000000 Li\n0.500000 0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 V\n-0.000000 0.500000 0.000000 V\n0.478637 0.752960 0.237077 O\n0.984891 0.243657 0.226127 O\n0.011391 0.752955 0.237074 O\n0.511191 0.763635 0.758751 O\n0.488809 0.236366 0.241250 O\n0.988609 0.247046 0.762927 O\n0.015109 0.756344 0.773874 O\n0.521363 0.247042 0.762925 O\n",
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"structure_string": "Li3 V1 P2 H1 O8\n1.0\n5.018022 0.057631 0.027311\n-2.069747 4.625696 -0.000994\n-0.029432 -0.038482 6.146704\nLi V P H O\n3 1 2 1 8\ndirect\n0.617103 0.223733 0.758082 Li\n0.000000 0.000000 0.500000 Li\n0.382897 0.776268 0.241918 Li\n0.000000 0.000000 0.000000 V\n0.638657 0.362110 0.245582 P\n0.361343 0.637891 0.754417 P\n0.000000 0.500001 0.500000 H\n0.755242 0.251405 0.050897 O\n0.776273 0.296838 0.460358 O\n0.305666 0.195722 0.261979 O\n0.271771 0.307441 0.764134 O\n0.728229 0.692560 0.235866 O\n0.694334 0.804279 0.738021 O\n0.223726 0.703163 0.539642 O\n0.244758 0.748596 0.949103 O\n",
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"structure_string": "Na1 Al1 O2\n1.0\n1.443198 0.833231 5.300461\n-1.443198 0.833231 5.300461\n0.000000 -1.666462 5.300461\nNa Al O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.500002 Al\n0.769945 0.769945 0.769949 O\n0.230053 0.230053 0.230054 O\n",
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{
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"structure_string": "Mg2 Mn4 O8\n1.0\n2.905374 -0.000000 -0.000000\n-1.452687 4.815437 0.000000\n-0.000000 -0.000000 9.566404\nMg Mn O\n2 4 8\ndirect\n0.387902 0.775808 0.750000 Mg\n0.612095 0.224193 0.250000 Mg\n0.868647 0.737298 0.070261 Mn\n0.131351 0.262702 0.929738 Mn\n0.868647 0.737298 0.429738 Mn\n0.131351 0.262702 0.570261 Mn\n0.221446 0.442895 0.386166 O\n0.778552 0.557106 0.613834 O\n0.778552 0.557106 0.886166 O\n0.221446 0.442895 0.113834 O\n0.957908 0.915822 0.250000 O\n0.042089 0.084179 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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}