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{
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"structure_string": "Fe6 O5 F7\n1.0\n4.772258 0.063538 0.085620\n0.286114 5.560809 0.101076\n0.382723 0.732854 7.547463\nFe O F\n6 5 7\ndirect\n0.533626 0.850960 0.677762 Fe\n0.521980 0.480655 0.002671 Fe\n0.475560 0.183894 0.332675 Fe\n0.993956 0.318715 0.674024 Fe\n0.020266 0.654988 0.330114 Fe\n0.971151 0.018363 0.987971 Fe\n0.311171 0.470549 0.224298 O\n0.297158 0.137671 0.561622 O\n0.705627 0.525917 0.775268 O\n0.688349 0.194224 0.109778 O\n0.808836 0.039479 0.757287 O\n0.795816 0.373913 0.428828 F\n0.806936 0.700084 0.100377 F\n0.686817 0.870468 0.418920 F\n0.303198 0.789526 0.912945 F\n0.184343 0.966765 0.228551 F\n0.183120 0.625568 0.572124 F\n0.212084 0.298257 0.904786 F\n",
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{
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"structure_string": "Pr6 Mn2 Bi10\n1.0\n9.710149 0.000000 0.000000\n-4.855075 8.409236 -0.000000\n-0.000000 -0.000000 6.519411\nPr Mn Bi\n6 2 10\ndirect\n0.619485 0.619485 0.750000 Pr\n0.380516 -0.000000 0.750000 Pr\n0.619484 -0.000000 0.250000 Pr\n0.000000 0.380516 0.750000 Pr\n0.380516 0.380516 0.250000 Pr\n0.000000 0.619485 0.250000 Pr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.748131 0.748131 0.250000 Bi\n0.666667 0.333333 0.500000 Bi\n0.251870 0.251869 0.750000 Bi\n0.333334 0.666667 0.000000 Bi\n0.251869 -0.000000 0.250000 Bi\n0.000001 0.748131 0.750000 Bi\n0.000000 0.251869 0.250000 Bi\n0.748131 -0.000000 0.750000 Bi\n0.333334 0.666667 0.500000 Bi\n0.666667 0.333333 0.000000 Bi\n",
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"structure_string": "Zn1 Cu3 H6 Cl2 O6\n1.0\n6.323010 -0.000000 -0.000000\n-3.161505 5.475886 0.000000\n-0.000000 -0.000000 5.723304\nZn Cu H Cl O\n1 3 6 2 6\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000001 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Cu\n0.800980 0.601960 0.174755 H\n0.601961 0.800980 0.825245 H\n0.199021 0.398040 0.825245 H\n0.800980 0.199021 0.174755 H\n0.199021 0.800980 0.825245 H\n0.398040 0.199021 0.174755 H\n0.333334 0.666667 0.121531 Cl\n0.666667 0.333333 0.878468 Cl\n0.822969 0.645937 0.342810 O\n0.645937 0.822969 0.657190 O\n0.822968 0.177032 0.342810 O\n0.354064 0.177032 0.342810 O\n0.177033 0.822969 0.657190 O\n0.177032 0.354064 0.657190 O\n",
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{
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"structure_string": "Na8 Fe2 O8\n1.0\n5.757514 -0.025095 -0.062578\n-2.019670 -5.386052 0.025904\n-2.498708 0.662782 -7.722681\nNa Fe O\n8 2 8\ndirect\n0.405718 0.209457 0.367471 Na\n0.594281 0.790542 0.632530 Na\n0.796807 0.736819 0.016286 Na\n0.203192 0.263181 0.983715 Na\n0.954045 0.723654 0.431351 Na\n0.045954 0.276345 0.568650 Na\n0.751650 0.228404 0.163667 Na\n0.248349 0.771595 0.836334 Na\n0.409895 0.719795 0.251642 Fe\n0.590104 0.280204 0.748359 Fe\n0.242883 0.900726 0.110941 O\n0.757116 0.099273 0.889060 O\n0.689541 0.970351 0.383128 O\n0.310458 0.029648 0.616873 O\n0.429515 0.475138 0.798060 O\n0.570484 0.524862 0.201941 O\n0.165151 0.493023 0.326468 O\n0.834848 0.506976 0.673532 O\n",
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{
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"created_at": "2022-09-04T14:36:41.480391Z",
"updated_at": "2022-09-04T14:36:41.480420Z",
"structure_string": "Hg6 As2 Se8 Br2\n1.0\n7.880810 -0.000000 0.000000\n-3.940405 6.824982 -0.000000\n0.000000 -0.000000 9.480667\nHg As Se Br\n6 2 8 2\ndirect\n0.497176 0.502824 0.243849 Hg\n0.502824 0.005648 0.743849 Hg\n0.502825 0.497175 0.743849 Hg\n0.005648 0.502824 0.243849 Hg\n0.497176 0.994352 0.243849 Hg\n0.994352 0.497175 0.743849 Hg\n0.000000 0.000000 0.222949 As\n0.000000 0.000000 0.722950 As\n0.298608 0.149304 0.367885 Se\n0.666667 0.333333 0.600011 Se\n0.850696 0.149304 0.367885 Se\n0.701393 0.850696 0.867886 Se\n0.850696 0.701392 0.367885 Se\n0.149304 0.850696 0.867886 Se\n0.333333 0.666667 0.100011 Se\n0.149304 0.298608 0.867886 Se\n0.333333 0.666667 0.525936 Br\n0.666667 0.333333 0.025936 Br\n",
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{
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"structure_string": "Fe6 O11 F1\n1.0\n0.000000 6.241039 0.002361\n2.834472 0.000000 0.000000\n0.000000 -3.118471 -9.199877\nFe O F\n6 11 1\ndirect\n0.004786 0.000000 0.002283 Fe\n0.502063 0.500000 -0.000608 Fe\n0.335828 0.000000 0.664387 Fe\n0.144577 0.500000 0.333327 Fe\n0.836006 0.500000 0.667280 Fe\n0.680961 0.000000 0.333326 Fe\n0.594639 0.500000 0.202751 O\n0.725465 0.500000 0.463908 O\n0.068832 0.500000 0.135211 O\n0.639274 0.000000 0.668724 O\n0.937719 0.500000 0.870705 O\n0.700772 0.000000 0.002819 O\n0.400604 0.500000 0.795963 O\n0.965051 0.000000 0.333265 O\n0.031386 0.000000 0.664030 O\n0.303786 0.000000 -0.002228 O\n0.266779 0.500000 0.531457 O\n0.361477 0.000000 0.333404 F\n",
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"structure_string": "H8 N4 O6\n1.0\n4.895277 0.000000 0.000000\n0.000000 5.447511 0.000000\n0.000000 0.000000 5.561101\nH N O\n8 4 6\ndirect\n0.328433 0.162350 0.000000 H\n0.671568 0.162350 0.000000 H\n0.828433 0.837650 0.500000 H\n0.171568 0.837650 0.500000 H\n0.642137 0.885311 0.000000 H\n0.357863 0.885311 0.000000 H\n0.857864 0.114689 0.500000 H\n0.142137 0.114689 0.500000 H\n0.500000 0.477912 0.500000 N\n0.000000 0.522088 0.000000 N\n0.500000 0.044031 0.000000 N\n0.000000 0.955969 0.500000 N\n0.727166 0.369549 0.500000 O\n0.000000 0.288422 0.000000 O\n0.500000 0.711578 0.500000 O\n0.772835 0.630451 0.000000 O\n0.227165 0.630451 0.000000 O\n0.272835 0.369549 0.500000 O\n",
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"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
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}