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{
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"updated_at": "2022-09-04T14:38:50.090336Z",
"structure_string": "Sm4 Ti4 S4 O9\n1.0\n6.776292 -0.004445 6.268555\n5.772012 3.549934 6.268555\n0.023811 0.006728 12.773087\nSm Ti S O\n4 4 4 9\ndirect\n0.867376 0.867373 0.821586 Sm\n0.141569 0.141569 0.160030 Sm\n0.154904 0.154904 0.690369 Sm\n0.844512 0.844509 0.311733 Sm\n0.879204 0.879201 0.544590 Ti\n0.117802 0.117802 0.462954 Ti\n0.433549 0.433548 0.968730 Ti\n0.565425 0.565422 0.030734 Ti\n0.545277 0.545276 0.656296 S\n0.461245 0.461244 0.350906 S\n0.291857 0.291857 0.734657 S\n0.693511 0.693508 0.279157 S\n0.037534 0.037534 0.098841 O\n0.767328 0.767325 0.560239 O\n0.233788 0.233788 0.439126 O\n0.588511 0.588510 0.864754 O\n0.409089 0.409088 0.137638 O\n0.322476 0.322476 0.974551 O\n0.680240 0.680237 0.016525 O\n0.959721 0.959718 0.906369 O\n0.983590 0.983587 0.542815 O\n",
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{
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"structure_string": "Li2 Mn7 F16\n1.0\n6.008450 -0.020072 7.176193\n2.593699 5.419834 7.176193\n-0.031976 -0.020072 9.359391\nLi Mn F\n2 7 16\ndirect\n0.674648 0.674649 0.674649 Li\n0.325351 0.325351 0.325351 Li\n0.000000 0.000000 0.000000 Mn\n0.114724 0.482337 0.733178 Mn\n0.517662 0.266823 0.885276 Mn\n0.266822 0.885276 0.517663 Mn\n0.733177 0.114725 0.482337 Mn\n0.482337 0.733177 0.114724 Mn\n0.885276 0.517663 0.266822 Mn\n0.829974 0.400726 0.174228 F\n0.599274 0.825771 0.170026 F\n0.376976 0.809465 -0.073859 F\n0.809465 -0.073859 0.376975 F\n0.825771 0.170026 0.599274 F\n0.403023 0.403024 0.403023 F\n0.596976 0.596976 0.596976 F\n0.400725 0.174229 0.829974 F\n0.190534 0.073859 0.623025 F\n0.623024 0.190535 0.073859 F\n0.073859 0.623024 0.190535 F\n0.170025 0.599274 0.825772 F\n-0.073860 0.376975 0.809465 F\n0.779213 0.779213 0.779213 F\n0.174228 0.829974 0.400726 F\n0.220786 0.220787 0.220787 F\n",
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{
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"structure_string": "Ba6 Si2 O10\n1.0\n6.450507 0.000000 -3.519085\n-1.919843 6.158184 -3.519085\n0.016718 0.022723 7.702096\nBa Si O\n6 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.181473 0.681472 -0.000001 Ba\n0.318528 0.181472 -0.000000 Ba\n0.681473 0.818527 -0.000001 Ba\n0.818528 0.318527 -0.000001 Ba\n0.750001 0.749999 0.499999 Ba\n0.250000 0.749999 0.499999 Si\n0.750001 0.250000 0.500000 Si\n0.500000 0.500000 -0.000001 O\n0.209952 0.709951 0.675101 O\n0.709952 0.465150 0.675101 O\n0.965151 0.209951 0.675101 O\n0.290049 0.534849 0.324898 O\n0.034850 0.790048 0.324898 O\n0.790049 0.290048 0.324898 O\n0.534850 0.034849 0.324898 O\n0.465151 0.965149 0.675101 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:42.238181Z",
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"structure_string": "Zr10 Si6 N2\n1.0\n7.934862 -0.000000 0.000000\n-3.967430 6.871792 0.000000\n-0.000000 -0.000000 5.629274\nZr Si N\n10 6 2\ndirect\n0.233335 0.000000 0.750000 Zr\n0.333333 0.666666 -0.000000 Zr\n0.666666 0.333333 0.500000 Zr\n0.333333 0.666666 0.500000 Zr\n0.233335 0.233335 0.250000 Zr\n0.666666 0.333333 -0.000000 Zr\n-0.000000 0.766664 0.250000 Zr\n-0.000000 0.233335 0.750000 Zr\n0.766665 0.000000 0.250000 Zr\n0.766664 0.766664 0.750000 Zr\n0.595411 0.000000 0.750000 Si\n0.404589 0.000000 0.250000 Si\n-0.000000 0.595411 0.750000 Si\n-0.000000 0.404589 0.250000 Si\n0.404589 0.404589 0.750000 Si\n0.595411 0.595411 0.250000 Si\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
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"updated_at": "2022-09-04T14:38:13.248122Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.223532 0.000000 0.000000\n-1.611766 2.791650 -0.000009\n0.000000 -0.000098 34.107397\nMo W Se S\n2 2 2 6\ndirect\n0.333320 0.666643 0.093497 Mo\n0.666672 0.333346 0.282411 Mo\n0.333325 0.666654 0.471970 W\n0.666676 0.333355 0.655036 W\n0.333342 0.666687 0.332566 Se\n0.333331 0.666666 0.232253 Se\n0.333347 0.666699 0.700880 S\n0.666652 0.333304 0.047904 S\n0.666655 0.333311 0.426078 S\n0.666660 0.333321 0.139150 S\n0.666667 0.333336 0.517845 S\n0.333337 0.666678 0.609159 S\n",
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{
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{
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"created_at": "2022-09-04T14:36:45.686795Z",
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224996 -0.000012 0.000003\n-1.612508 2.792911 -0.000021\n0.000033 -0.000263 34.073212\nMo W Se S\n2 2 2 6\ndirect\n0.333322 0.666640 0.093392 Mo\n0.333331 0.666655 0.472004 Mo\n0.666666 0.333337 0.282673 W\n0.666682 0.333370 0.654844 W\n0.333339 0.666685 0.333193 Se\n0.333325 0.666652 0.232156 Se\n0.333336 0.666677 0.700721 S\n0.666643 0.333284 0.047767 S\n0.666665 0.333320 0.426325 S\n0.666669 0.333331 0.139075 S\n0.666666 0.333329 0.517666 S\n0.333361 0.666725 0.608933 S\n",
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{
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224952 -0.000000 -0.000002\n-1.612476 2.792884 -0.000017\n-0.000020 -0.000237 34.073254\nMo W Se S\n2 2 2 6\ndirect\n0.333314 0.666636 0.096902 Mo\n0.666661 0.333317 0.279088 Mo\n0.333338 0.666676 0.468410 W\n0.666679 0.333364 0.658513 W\n0.666666 0.333333 0.417891 Se\n0.666675 0.333348 0.518930 Se\n0.333338 0.666673 0.324767 S\n0.333347 0.666700 0.704389 S\n0.666655 0.333319 0.051274 S\n0.666643 0.333291 0.142568 S\n0.333325 0.666644 0.233429 S\n0.333339 0.666684 0.612588 S\n",
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}
]
}