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"id": "jvasp-28681",
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{
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.357984 0.000000 -0.000000\n-1.678992 2.908080 -0.000066\n-0.000000 -0.000869 37.689336\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666711 0.707668 Te\n0.333353 0.666706 0.607004 Te\n0.333321 0.666643 0.093955 Mo\n0.666695 0.333391 0.657594 Mo\n0.333313 0.666626 0.469593 W\n0.666678 0.333357 0.281796 W\n0.333360 0.666720 0.326331 Se\n0.666642 0.333283 0.050039 Se\n0.666643 0.333286 0.138139 Se\n0.333355 0.666711 0.237315 Se\n0.666643 0.333285 0.429111 S\n0.666638 0.333277 0.510201 S\n",
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{
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"updated_at": "2022-09-04T14:37:55.455176Z",
"structure_string": "Ba1 Na1 Cu1 Br1 O2\n1.0\n3.974440 -0.000000 0.000000\n0.000000 3.974440 0.000000\n-0.000000 -0.000000 7.188690\nBa Na Cu Br O\n1 1 1 1 2\ndirect\n0.000000 0.000000 0.472257 Ba\n0.000000 0.000000 0.033410 Na\n0.500000 0.500000 0.210915 Cu\n0.500000 0.500000 0.755728 Br\n-0.000000 0.500000 0.231885 O\n0.500000 0.000000 0.231885 O\n",
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{
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"created_at": "2022-09-04T14:37:41.214814Z",
"updated_at": "2022-09-04T14:37:41.214834Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.350211 0.000025 0.000089\n-1.675085 2.901314 -0.000326\n0.000946 -0.003393 36.148160\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666635 0.333225 0.414596 Te\n0.666738 0.333527 0.520302 Te\n0.333298 0.666605 0.099801 Mo\n0.666682 0.333375 0.274883 Mo\n0.333362 0.666712 0.467463 W\n0.666652 0.333282 0.660798 W\n0.333384 0.666819 0.320955 Se\n0.333382 0.666787 0.707062 Se\n0.333330 0.666616 0.228791 Se\n0.333292 0.666512 0.614458 Se\n0.666588 0.333148 0.057852 S\n0.666661 0.333379 0.141785 S\n",
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{
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"created_at": "2022-09-04T14:37:43.383793Z",
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.398609 -0.000001 -0.000000\n-1.699306 2.943285 -0.000001\n0.000004 -0.000004 38.720110\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333351 0.666706 0.705911 Te\n0.666642 0.333284 0.045540 Te\n0.666644 0.333288 0.142388 Te\n0.333356 0.666716 0.609103 Te\n0.333306 0.666613 0.093902 Mo\n0.666687 0.333377 0.657563 Mo\n0.333311 0.666624 0.469645 W\n0.666688 0.333377 0.281801 W\n0.666647 0.333294 0.426869 Se\n0.666647 0.333296 0.512428 Se\n0.333357 0.666716 0.320755 S\n0.333352 0.666708 0.242841 S\n",
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{
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"created_at": "2022-09-04T14:37:43.846893Z",
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"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.315699 0.000000 0.000000\n-1.657849 2.871499 0.000033\n0.000001 0.000385 34.404398\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333376 0.666753 0.715897 Te\n0.333327 0.666654 0.604094 Te\n0.333324 0.666647 0.463476 Mo\n0.666681 0.333363 0.283186 Mo\n0.333310 0.666620 0.096227 W\n0.666686 0.333372 0.660047 W\n0.666672 0.333343 0.047296 Se\n0.666608 0.333216 0.145219 Se\n0.333337 0.666675 0.327610 S\n0.666665 0.333328 0.419073 S\n0.666656 0.333309 0.507875 S\n0.333356 0.666713 0.238748 S\n",
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{
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"created_at": "2022-09-04T14:35:52.578760Z",
"updated_at": "2022-09-04T14:35:52.578779Z",
"structure_string": "Si4 B4 H4 C12 N4 Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n",
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