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{
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"updated_at": "2022-09-04T14:37:13.165862Z",
"structure_string": "Sr3 Ca1 Cr2 S2 O5\n1.0\n3.917423 0.000000 0.000000\n0.000000 3.917423 0.000000\n-1.958711 -1.958711 14.205687\nSr Ca Cr S O\n3 1 2 2 5\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.631114 0.631114 0.262229 Sr\n0.368886 0.368886 0.737772 Sr\n0.750000 0.250000 0.500000 Ca\n0.066680 0.066680 0.133360 Cr\n0.933320 0.933320 0.866640 Cr\n0.184196 0.184196 0.368393 S\n0.815803 0.815803 0.631607 S\n0.074840 0.574839 0.149678 O\n0.574986 0.074987 0.149973 O\n0.925013 0.425013 0.850027 O\n0.425160 0.925160 0.850322 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n0.000000 6.576125 0.015723\n5.429618 0.000000 0.000000\n0.000000 -2.657561 -6.452864\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.839351 0.250000 0.627315 Sr\n0.635469 0.750000 0.900093 Sr\n0.160650 0.750000 0.372685 Sr\n0.364532 0.250000 0.099906 Sr\n0.851862 0.250000 0.119606 Li\n0.148139 0.750000 0.880394 Li\n0.655186 0.750000 0.335166 Si\n0.344815 0.250000 0.664834 Si\n0.221497 0.494063 0.710678 O\n0.778504 0.994063 0.289322 O\n0.221497 0.005937 0.710678 O\n0.596820 0.250000 0.845592 O\n0.778504 0.505937 0.289322 O\n0.403181 0.750000 0.154407 O\n0.341776 0.250000 0.430232 O\n0.658225 0.750000 0.569767 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
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{
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"created_at": "2022-09-04T14:37:07.523197Z",
"updated_at": "2022-09-04T14:37:07.523227Z",
"structure_string": "Y2 Mn6 Se4 Cl2 O16\n1.0\n6.534475 0.000000 0.000000\n0.000000 6.970082 0.000000\n0.000000 0.000000 9.365673\nY Mn Se Cl O\n2 6 4 2 16\ndirect\n0.000000 0.714369 0.000000 Y\n0.500000 0.285631 0.500000 Y\n0.250000 0.000000 0.750000 Mn\n0.250000 0.000000 0.250000 Mn\n0.750001 0.000000 0.750000 Mn\n0.500000 0.799172 0.500000 Mn\n0.000000 0.200828 0.000000 Mn\n0.750001 0.000000 0.250000 Mn\n0.000000 0.421326 0.321872 Se\n0.500000 0.578674 0.178128 Se\n0.500000 0.578674 0.821872 Se\n0.000000 0.421326 0.678128 Se\n0.000000 0.869129 0.500000 Cl\n0.500000 0.130871 0.000000 Cl\n0.709703 0.732917 0.157690 O\n0.290298 0.732917 0.157690 O\n0.209702 0.267083 0.657690 O\n0.500000 0.000916 0.362897 O\n0.000000 -0.000916 0.137103 O\n0.790298 0.267083 0.657690 O\n0.709703 0.732917 0.842310 O\n0.000000 -0.000916 0.862896 O\n0.790298 0.267083 0.342310 O\n0.209702 0.267083 0.342310 O\n0.290298 0.732917 0.842310 O\n0.500000 0.579074 0.371309 O\n0.000000 0.420925 0.871309 O\n0.500000 0.579074 0.628691 O\n0.500000 0.000916 0.637103 O\n0.000000 0.420925 0.128691 O\n",
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{
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"structure_string": "Ba1 Y1 Fe1 Cu1 O5\n1.0\n3.896250 0.000000 0.000000\n0.000000 3.896250 0.000000\n0.000000 0.000000 7.665629\nBa Y Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.985546 Ba\n0.000000 0.000000 0.459432 Y\n0.500000 0.500000 0.700003 Fe\n0.500000 0.500000 0.254412 Cu\n0.000000 0.500000 0.646523 O\n0.500000 0.000000 0.646523 O\n0.000000 0.500000 0.277063 O\n0.500000 0.000000 0.277063 O\n0.500000 0.500000 0.941352 O\n",
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"created_at": "2022-09-04T14:37:19.618405Z",
"updated_at": "2022-09-04T14:37:19.618428Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.312740 0.000000 0.000000\n-1.656370 2.869547 -0.000749\n0.000000 -0.008559 33.193169\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.334049 0.668098 0.730984 Te\n0.333732 0.667463 0.614893 Te\n0.332708 0.665416 0.084698 Mo\n0.666476 0.332951 0.276512 Mo\n0.333592 0.667184 0.468735 W\n0.667202 0.334404 0.673014 W\n0.333224 0.666446 0.327054 Se\n0.332996 0.665992 0.225950 Se\n0.665886 0.331771 0.038702 S\n0.666799 0.333595 0.422451 S\n0.666284 0.332568 0.130755 S\n0.667058 0.334114 0.515000 S\n",
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{
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"structure_string": "Ba4 Y2 B4 Cl2 O12\n1.0\n0.000000 6.467086 0.040412\n5.345205 0.000000 0.000000\n0.000000 -1.222380 -11.251748\nBa Y B Cl O\n4 2 4 2 12\ndirect\n0.092246 0.750001 0.705861 Ba\n0.907755 0.250000 0.294139 Ba\n0.340720 0.750001 0.073961 Ba\n0.659280 0.250000 0.926040 Ba\n0.346771 0.750001 0.413422 Y\n0.653230 0.250000 0.586578 Y\n0.376646 0.250000 0.225984 B\n0.623355 0.750001 0.774016 B\n0.789386 0.750001 0.427032 B\n0.210614 0.250000 0.572969 B\n0.149324 0.250000 0.913206 Cl\n0.850676 0.750001 0.086794 Cl\n0.524449 0.250000 0.146945 O\n0.291631 0.471748 0.262726 O\n0.708369 0.971748 0.737274 O\n0.708369 0.528253 0.737274 O\n0.291631 0.028253 0.262726 O\n0.675045 0.530824 0.434626 O\n0.324955 0.030824 0.565374 O\n0.324955 0.469177 0.565374 O\n0.675045 0.969177 0.434626 O\n0.992221 0.750001 0.406118 O\n0.007780 0.250000 0.593882 O\n0.475552 0.750001 0.853055 O\n",
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{
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"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n",
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{
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"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.365540 -0.182520 -0.064130\n-1.173811 5.977680 -0.011334\n-1.602416 -1.999720 6.015110\nLi V P H O\n2 2 2 2 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.761196 0.381414 0.272367 V\n0.238804 0.618586 0.727634 V\n0.345824 0.554316 0.232517 P\n0.654176 0.445684 0.767484 P\n0.662238 0.939647 0.157648 H\n0.337762 0.060353 0.842352 H\n0.177053 0.921064 0.759322 O\n0.164773 0.590313 0.385849 O\n0.336012 0.288368 0.154873 O\n0.663988 0.711633 0.845127 O\n0.651370 0.681720 0.364238 O\n0.822947 0.078936 0.240679 O\n0.254679 0.653157 0.042524 O\n0.745321 0.346843 0.957477 O\n0.835226 0.409687 0.614152 O\n0.348629 0.318280 0.635763 O\n",
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}