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{
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"structure_string": "Hf1 H8 C6 O4\n1.0\n3.802183 -0.113754 0.331442\n-1.204652 4.294279 -1.381796\n-0.047605 0.043140 9.679960\nHf H C O\n1 8 6 4\ndirect\n0.034418 0.864668 0.690704 Hf\n0.785779 0.882797 0.083291 H\n0.312735 0.796484 0.117582 H\n0.804614 0.409195 0.146421 H\n0.321416 0.264646 0.143612 H\n0.061603 -0.001280 0.327313 H\n0.674484 0.134087 0.352754 H\n0.256216 0.643490 0.364031 H\n0.601108 0.500664 0.396796 H\n0.533017 0.686902 0.077730 C\n0.553280 0.481328 0.172647 C\n0.539396 0.641976 0.334884 C\n0.886693 0.105077 0.545193 C\n0.796374 0.977267 0.383882 C\n0.440736 0.521673 0.920126 C\n0.206674 0.246490 0.886218 O\n0.978238 0.430581 0.584893 O\n0.586506 0.982237 0.636927 O\n0.578082 0.672270 0.828120 O\n",
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
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{
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"updated_at": "2022-09-04T14:38:50.868741Z",
"structure_string": "Th2 Al4 Si2 Au3\n1.0\n12.078642 -0.009338 0.000000\n-11.307841 4.245753 0.000000\n-0.000000 -0.000000 4.290087\nTh Al Si Au\n2 4 2 3\ndirect\n0.821732 0.178266 -0.000000 Th\n0.178266 0.821732 -0.000000 Th\n0.562895 0.437104 -0.000000 Al\n0.437104 0.562895 -0.000000 Al\n0.937567 0.062432 0.500000 Al\n0.062432 0.937567 0.500000 Al\n0.726566 0.273433 0.500000 Si\n0.273433 0.726566 0.500000 Si\n0.622817 0.377181 0.500000 Au\n0.377181 0.622817 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Li1 V1 Fe4 O8\n1.0\n4.852332 0.086720 2.726726\n-3.245047 4.521842 0.101467\n-0.225106 0.003975 5.747107\nLi V Fe O\n1 1 4 8\ndirect\n0.749999 0.375001 0.875002 Li\n0.250000 0.375000 0.375001 V\n0.507981 0.738471 0.753548 Fe\n0.992017 0.011530 -0.003546 Fe\n0.249999 0.875000 0.375001 Fe\n0.749999 0.375000 0.375001 Fe\n0.263137 0.120636 0.616227 O\n0.720369 0.118878 0.160754 O\n0.725426 0.611704 0.142079 O\n0.246217 0.132496 0.142078 O\n0.236862 0.629364 0.133774 O\n0.779630 0.631123 0.589249 O\n0.774573 0.138297 0.607923 O\n0.253782 0.617504 0.607923 O\n",
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{
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"updated_at": "2022-09-04T14:38:34.588861Z",
"structure_string": "Ba2 Y1 Cu3 O6\n1.0\n3.878143 0.000000 0.000000\n-0.000000 3.878143 0.000000\n-0.000000 -0.000000 12.074846\nBa Y Cu O\n2 1 3 6\ndirect\n0.500000 0.500000 0.197430 Ba\n0.500000 0.500000 0.802570 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.368210 Cu\n0.000000 0.000000 0.631790 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.619134 O\n0.000000 0.500000 0.380866 O\n0.000000 0.500000 0.619134 O\n0.000000 0.000000 0.149935 O\n0.500000 0.000000 0.380866 O\n0.000000 0.000000 0.850066 O\n",
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{
"id": "jvasp-112114",
"created_at": "2022-09-04T14:38:44.900566Z",
"updated_at": "2022-09-04T14:38:44.900595Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.923157 -0.079124 -0.566920\n-1.117224 4.318933 -0.110185\n-0.102407 0.031104 11.937805\nCd H C O\n1 12 8 4\ndirect\n0.195883 0.654999 0.180508 Cd\n0.685705 0.803006 0.583438 H\n0.773121 0.026510 0.900337 H\n0.955094 0.420264 0.953679 H\n0.063915 0.944573 0.774283 H\n0.439330 0.943197 0.713101 H\n0.952514 0.366657 0.647929 H\n0.043221 0.806223 0.512746 H\n0.348644 0.503688 0.848258 H\n0.706150 0.506854 0.777569 H\n0.436754 0.889694 0.407342 H\n0.618742 0.283423 0.460708 H\n0.327944 0.365305 0.586753 H\n0.511604 0.173827 0.024979 C\n0.708088 0.239823 0.924953 C\n0.505686 0.354682 0.820742 C\n0.276327 0.094171 0.734880 C\n0.886171 0.955208 0.540274 C\n0.683768 0.070121 0.436074 C\n0.880216 0.136167 0.336040 C\n0.115520 0.215691 0.626147 C\n0.280611 0.913828 0.023328 O\n0.111199 0.396174 0.337694 O\n0.805436 0.925326 0.254109 O\n0.586342 0.384709 0.106892 O\n",
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{
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"structure_string": "Li2 Dy2 S4 O16\n1.0\n7.486568 -0.000000 0.000000\n0.000000 7.486568 0.000000\n-0.000000 -0.000000 5.849598\nLi Dy S O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n-0.000000 0.500000 0.250000 Dy\n0.500000 0.000000 0.750000 Dy\n0.776478 0.723523 0.750000 S\n0.223522 0.276478 0.750000 S\n0.723523 0.223522 0.250000 S\n0.276478 0.776478 0.250000 S\n0.708206 0.405401 0.346421 O\n0.291795 0.594600 0.346421 O\n0.094599 0.791795 0.153579 O\n0.905401 0.208205 0.153579 O\n0.405401 0.291795 0.653579 O\n0.594600 0.708206 0.653579 O\n0.185530 0.414388 0.932530 O\n0.414388 0.814471 0.067470 O\n0.314470 0.914388 0.432530 O\n0.685530 0.085612 0.432530 O\n0.208205 0.094599 0.846421 O\n0.585613 0.185530 0.067470 O\n0.085612 0.314470 0.567470 O\n0.914388 0.685530 0.567470 O\n0.814471 0.585613 0.932530 O\n0.791795 0.905401 0.846421 O\n",
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{
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"structure_string": "Tb2 In2 Ge4 O14\n1.0\n5.642382 0.028986 0.676397\n-1.541286 5.427867 0.676397\n-0.026013 -0.034612 9.843209\nTb In Ge O\n2 2 4 14\ndirect\n0.709269 0.290720 0.249993 Tb\n0.709281 0.290732 0.750008 Tb\n0.315490 0.684498 0.250008 In\n0.315503 0.684511 0.749992 In\n0.772441 0.772093 0.957769 Ge\n0.227908 0.227559 0.042231 Ge\n0.227904 0.227577 0.542233 Ge\n0.772423 0.772097 0.457768 Ge\n0.387472 0.057499 0.140958 O\n0.942502 0.612529 0.859043 O\n0.940445 0.059556 0.500000 O\n0.940442 0.059559 0.000000 O\n0.942471 0.612573 0.359000 O\n0.387428 0.057530 0.641000 O\n0.406590 0.384641 0.384551 O\n0.581448 0.898839 0.856837 O\n0.615360 0.593411 0.615449 O\n0.101160 0.418633 0.643121 O\n0.406581 0.384648 0.884553 O\n0.615352 0.593420 0.115448 O\n0.101162 0.418552 0.143164 O\n0.581367 0.898841 0.356880 O\n",
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{
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"created_at": "2022-09-04T14:38:44.935059Z",
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"structure_string": "Li1 Co1 P2 O7\n1.0\n5.035098 0.030055 0.741480\n-1.238551 4.880482 0.741480\n0.002848 0.003684 4.388164\nLi Co P O\n1 1 2 7\ndirect\n0.690145 0.309854 0.500000 Li\n0.059535 0.940464 0.500000 Co\n0.613225 0.806953 0.091415 P\n0.193046 0.386775 0.908584 P\n0.004746 0.240342 0.224681 O\n0.063177 0.599286 0.757866 O\n0.289168 0.199133 0.691864 O\n0.400713 0.936822 0.242133 O\n0.481219 0.518781 0.000000 O\n0.759658 0.995252 0.775318 O\n0.800866 0.710832 0.308136 O\n",
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{
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"created_at": "2022-09-04T14:38:46.964613Z",
"updated_at": "2022-09-04T14:38:46.964642Z",
"structure_string": "Li6 Mn2 Co6 O16\n1.0\n5.647581 0.047738 -0.080193\n-2.886770 4.710215 -1.638799\n0.140933 -0.045873 9.778324\nLi Mn Co O\n6 2 6 16\ndirect\n0.749933 0.500032 0.249993 Li\n0.249992 0.499970 0.750007 Li\n0.000039 0.500028 -0.000010 Li\n0.499993 0.499975 0.500050 Li\n-0.000004 0.500031 0.499988 Li\n0.500030 0.499975 -0.000029 Li\n0.000006 0.000018 0.000003 Mn\n0.499997 -0.000017 0.499996 Mn\n0.249995 -0.000008 0.749998 Co\n0.249997 0.000001 0.249999 Co\n-0.000002 -0.000012 0.499999 Co\n0.750004 0.000008 0.250000 Co\n0.750004 -0.000002 0.750000 Co\n0.500004 0.000015 0.000005 Co\n0.856382 0.215983 0.119184 O\n0.356381 0.215954 0.619183 O\n0.143621 0.784036 0.880819 O\n0.643616 0.784023 0.380813 O\n0.640517 0.784041 0.880824 O\n0.140521 0.784026 0.380807 O\n0.394961 0.789821 0.128207 O\n0.888985 0.777882 0.127873 O\n0.605053 0.210196 0.871785 O\n0.105041 0.210183 0.371795 O\n0.611008 0.222120 0.372127 O\n0.111022 0.222137 0.872120 O\n0.388982 0.777855 0.627877 O\n0.859481 0.215950 0.619178 O\n0.894948 0.789797 0.628212 O\n0.359480 0.215978 0.119192 O\n",
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{
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"created_at": "2022-09-04T14:38:34.242797Z",
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"structure_string": "Na3 Mo1 O3 F3\n1.0\n4.937018 0.004096 3.148950\n1.728539 4.624535 3.148950\n0.005899 0.004096 5.855767\nNa Mo O F\n3 1 3 3\ndirect\n0.773065 0.773066 0.773063 Na\n0.490206 0.490206 0.490205 Na\n0.271018 0.271018 0.271019 Na\n-0.000217 -0.000217 -0.000217 Mo\n0.310624 0.746984 0.093993 O\n0.093993 0.310624 0.746983 O\n0.746983 0.093993 0.310625 O\n0.641024 0.176598 0.870909 F\n0.176597 0.870909 0.641023 F\n0.870909 0.641023 0.176597 F\n",
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}