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{
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"structure_string": "Li5 V5 Cr2 O12\n1.0\n5.051971 0.232972 -0.139580\n2.414861 4.443549 0.139580\n-0.675478 1.078510 9.671259\nLi V Cr O\n5 5 2 12\ndirect\n0.158659 0.671136 0.512627 Li\n0.328022 0.830745 0.990475 Li\n0.671136 0.158659 0.987373 Li\n0.830744 0.328023 0.509525 Li\n0.922175 0.922175 0.750000 Li\n-0.002016 0.502460 0.989654 V\n0.502460 -0.002015 0.510346 V\n0.422032 0.422032 0.250000 V\n0.582968 0.582969 0.750000 V\n0.070518 0.070518 0.250000 V\n0.757361 0.757361 0.250000 Cr\n0.251057 0.251058 0.750000 Cr\n0.791227 0.034786 0.379211 O\n0.963815 0.211727 0.872058 O\n0.211727 0.963816 0.627942 O\n0.127438 0.367885 0.367644 O\n0.367885 0.127438 0.132356 O\n0.296172 0.531165 0.870637 O\n0.531165 0.296173 0.629363 O\n0.470142 0.715694 0.370928 O\n0.715694 0.470142 0.129072 O\n0.619773 0.875048 0.870627 O\n0.875048 0.619773 0.629373 O\n0.034786 0.791228 0.120789 O\n",
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{
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"structure_string": "Sr4 Fe2 S2 O6\n1.0\n3.971774 0.000000 0.000000\n0.000000 3.971774 0.000000\n0.000000 -0.000000 13.475236\nSr Fe S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.860608 Sr\n0.500000 0.000000 0.139393 Sr\n0.000000 0.500000 0.600394 Sr\n0.500000 0.000000 0.399606 Sr\n0.500000 0.000000 0.724800 Fe\n0.000000 0.500000 0.275200 Fe\n0.500000 0.000000 0.905177 S\n0.000000 0.500000 0.094823 S\n0.500000 0.500000 0.727263 O\n0.000000 0.000000 0.727263 O\n0.000000 0.000000 0.272737 O\n0.500000 0.500000 0.272737 O\n0.500000 0.000000 0.583545 O\n0.000000 0.500000 0.416455 O\n",
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{
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"created_at": "2022-09-04T14:37:27.007396Z",
"updated_at": "2022-09-04T14:37:27.007417Z",
"structure_string": "Sr2 Pr1 Ta1 O6\n1.0\n5.267019 -0.000000 3.040915\n1.755673 4.965793 3.040915\n-0.000000 -0.000000 6.081830\nSr Pr Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.500000 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ta\n0.768562 0.231438 0.231438 O\n0.231438 0.768561 0.768561 O\n0.231438 0.768561 0.231438 O\n0.768562 0.231438 0.768561 O\n0.231438 0.231438 0.768561 O\n0.768561 0.768561 0.231437 O\n",
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{
"id": "jvasp-28480",
"created_at": "2022-09-04T14:37:28.235058Z",
"updated_at": "2022-09-04T14:37:28.235081Z",
"structure_string": "Te2 Mo2 W1 Se4\n1.0\n3.405283 -0.000540 -0.001245\n-1.702263 2.946101 -0.136943\n0.010262 -1.022129 20.470708\nTe Mo W Se\n2 2 1 4\ndirect\n0.525050 0.049875 -0.077057 Te\n0.586477 0.173091 0.106747 Te\n0.222430 0.444790 0.014789 Mo\n0.668901 0.337632 0.353042 Mo\n0.441988 0.884198 0.673088 W\n0.362551 0.725092 0.433784 Se\n0.748185 0.496450 0.591972 Se\n0.802452 0.605287 0.754254 Se\n0.308563 0.616781 0.272222 Se\n",
"nsites": 9,
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"elements": [
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{
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"updated_at": "2022-09-04T14:37:15.334521Z",
"structure_string": "Ba2 Er1 Ru1 O6\n1.0\n5.121217 0.000000 2.956736\n1.707072 4.828330 2.956736\n0.000000 0.000000 5.913472\nBa Er Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ru\n0.235920 0.764080 0.764080 O\n0.235920 0.764080 0.235921 O\n0.764080 0.235920 0.764080 O\n0.235920 0.235920 0.764080 O\n0.764080 0.235920 0.235921 O\n0.764080 0.764080 0.235921 O\n",
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{
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"created_at": "2022-09-04T14:37:15.485900Z",
"updated_at": "2022-09-04T14:37:15.485920Z",
"structure_string": "Na2 Cu1 Au1 F6\n1.0\n5.127900 -0.000000 2.960595\n1.709300 4.834631 2.960595\n-0.000000 -0.000000 5.921189\nNa Cu Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Au\n0.735427 0.264572 0.264572 F\n0.264572 0.264572 0.735427 F\n0.264572 0.735427 0.735427 F\n0.264572 0.735427 0.264572 F\n0.735427 0.264572 0.735427 F\n0.735428 0.735427 0.264571 F\n",
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{
"id": "jvasp-10005",
"created_at": "2022-09-04T14:37:07.107691Z",
"updated_at": "2022-09-04T14:37:07.107735Z",
"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n5.462041 0.016370 -1.319012\n-1.970658 5.094181 -1.319012\n-0.018214 -0.026661 7.205002\nCa Si Sn O\n2 2 2 10\ndirect\n0.838090 0.161910 0.250000 Ca\n0.161910 0.838090 0.750000 Ca\n0.818513 0.181488 0.750000 Si\n0.181487 0.818512 0.250000 Si\n0.500000 0.500000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.399235 0.825128 0.129264 O\n0.174871 0.600764 0.370736 O\n0.600765 0.174872 0.870736 O\n0.825129 0.399236 0.629264 O\n0.759878 0.893358 0.584872 O\n0.106643 0.240122 0.915128 O\n0.589841 0.410159 0.250000 O\n0.410159 0.589842 0.750000 O\n0.893358 0.759878 0.084872 O\n0.240122 0.106642 0.415128 O\n",
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{
"id": "jvasp-30217",
"created_at": "2022-09-04T14:37:28.052751Z",
"updated_at": "2022-09-04T14:37:28.052778Z",
"structure_string": "Ga2 H10 N4 F4\n1.0\n-0.000000 5.909071 0.000000\n-5.422027 2.954535 -0.165196\n0.140043 0.000000 4.962544\nGa H N F\n2 10 4 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.888656 0.222687 0.570030 H\n0.952037 0.390014 0.795043 H\n0.365325 0.269349 0.923232 H\n0.270883 0.458235 0.656164 H\n0.657950 0.390014 0.795043 H\n0.634675 0.730652 0.076766 H\n0.342050 0.609987 0.204956 H\n0.047964 0.609987 0.204956 H\n0.111344 0.777314 0.429969 H\n0.729117 0.541766 0.343835 H\n0.642025 0.715952 0.280066 N\n0.144560 0.710880 0.231360 N\n0.855440 0.289121 0.768638 N\n0.357975 0.284049 0.719932 N\n0.157906 0.157442 0.241453 F\n0.315348 0.842559 0.758545 F\n0.842094 0.842559 0.758545 F\n0.684652 0.157442 0.241453 F\n",
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{
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"updated_at": "2022-09-04T14:37:06.423120Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n3.979446 0.215298 0.400351\n1.309914 4.259149 0.462015\n-0.529882 0.367828 11.196068\nZn H C O\n1 10 7 4\ndirect\n0.350160 0.863316 0.191464 Zn\n0.116696 0.645939 0.579339 H\n0.085738 0.594874 0.810848 H\n0.617157 0.707712 0.810318 H\n0.666403 0.251498 0.693353 H\n0.135146 0.125764 0.695396 H\n0.137506 0.064554 0.927435 H\n0.676649 0.154313 0.916442 H\n0.136883 0.175475 0.467714 H\n0.661811 0.333939 0.461141 H\n0.646490 0.780318 0.577944 H\n0.923405 0.612315 0.354173 C\n0.901932 0.396486 0.466424 C\n0.887707 0.563210 0.579753 C\n0.890498 0.340461 0.694517 C\n0.866715 0.499940 0.809417 C\n-0.118156 0.264407 0.921601 C\n0.806936 0.411063 0.039177 C\n0.961017 0.258943 0.135522 O\n0.217522 0.536601 0.296266 O\n0.655171 0.865817 0.324400 O\n0.566659 0.691014 0.039000 O\n",
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{
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"created_at": "2022-09-04T14:37:07.132235Z",
"updated_at": "2022-09-04T14:37:07.132248Z",
"structure_string": "Te2 Mo1 W2 S4\n1.0\n3.308792 0.000010 -0.000001\n-1.654388 2.865504 0.000002\n-0.000019 0.000014 30.334465\nTe Mo W S\n2 1 2 4\ndirect\n0.666640 0.333284 0.514816 Te\n0.666643 0.333286 0.641597 Te\n0.666691 0.333381 0.346946 Mo\n0.333311 0.666620 0.115741 W\n0.333307 0.666619 0.578298 W\n0.333358 0.666712 0.397306 S\n0.666642 0.333285 0.065233 S\n0.666643 0.333289 0.166331 S\n0.333357 0.666713 0.296573 S\n",
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{
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"created_at": "2022-09-04T14:37:06.064445Z",
"updated_at": "2022-09-04T14:37:06.064463Z",
"structure_string": "Sr4 Sc2 Ir2 O12\n1.0\n0.000000 5.695163 0.005457\n5.669969 0.000000 0.000000\n0.000000 -5.675597 -8.033133\nSr Sc Ir O\n4 2 2 12\ndirect\n0.746585 0.481531 0.249577 Sr\n0.253413 0.518469 0.750422 Sr\n0.253414 0.981532 0.250423 Sr\n0.746584 0.018469 0.749577 Sr\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n0.740743 0.719478 0.472603 O\n0.259256 0.219478 0.027397 O\n0.308783 0.730881 0.027417 O\n0.691216 0.230880 0.472582 O\n0.691215 0.269120 0.972582 O\n0.796562 0.005499 0.243829 O\n0.203436 0.994502 0.756170 O\n0.796562 0.494502 0.743829 O\n0.740742 0.780522 0.972603 O\n0.203436 0.505499 0.256170 O\n0.308782 0.769120 0.527417 O\n0.259255 0.280522 0.527397 O\n",
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{
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"created_at": "2022-09-04T14:37:05.886322Z",
"updated_at": "2022-09-04T14:37:05.886351Z",
"structure_string": "Pr4 Be4 Ge2 O14\n1.0\n7.668790 0.000000 0.000000\n-0.000000 7.668790 -0.000000\n0.000000 0.000000 4.946259\nPr Be Ge O\n4 4 2 14\ndirect\n0.659535 0.840465 0.503911 Pr\n0.159535 0.659535 0.496090 Pr\n0.840465 0.340465 0.496090 Pr\n0.340465 0.159535 0.503911 Pr\n0.366627 0.866627 0.040246 Be\n0.866627 0.633373 0.959755 Be\n0.633373 0.133373 0.040246 Be\n0.133373 0.366627 0.959755 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.858161 0.641839 0.280866 O\n0.358161 0.858161 0.719134 O\n0.641839 0.141839 0.719134 O\n0.141839 0.358161 0.280866 O\n0.500000 0.000000 0.168796 O\n0.000000 0.500000 0.831204 O\n0.174125 0.922645 0.204038 O\n0.325875 0.422645 0.795962 O\n0.422645 0.674125 0.204038 O\n0.577355 0.325875 0.204038 O\n0.077355 0.174125 0.795962 O\n0.922645 0.825875 0.795962 O\n0.674125 0.577355 0.795962 O\n0.825875 0.077355 0.204038 O\n",
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}