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{
"id": "jvasp-112201",
"created_at": "2022-09-04T14:38:44.282705Z",
"updated_at": "2022-09-04T14:38:44.282734Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.338854 -0.002942 -0.632987\n-2.355741 6.310846 -1.074606\n0.132284 -0.187311 9.681492\nSn H C Cl\n2 8 4 4\ndirect\n0.770770 0.782992 0.724510 Sn\n0.134542 0.242958 0.242924 Sn\n0.564461 0.318500 0.487649 H\n0.260092 0.968791 0.047585 H\n0.645174 0.057106 0.919875 H\n0.340813 0.707454 0.479800 H\n0.723417 0.692655 0.443962 H\n0.266433 0.199151 0.979536 H\n0.638861 0.826733 -0.012100 H\n0.181847 0.333300 0.523470 H\n0.382827 0.394581 0.468665 C\n0.522450 0.631371 0.498774 C\n0.123730 0.072054 0.025070 C\n0.781549 0.953845 0.942375 C\n0.864348 0.494756 0.186818 Cl\n0.644788 0.986684 0.293238 Cl\n0.260524 0.039276 0.674212 Cl\n0.040934 0.531180 0.780608 Cl\n",
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{
"id": "jvasp-112227",
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"structure_string": "Sn2 H8 C4 F4\n1.0\n4.262258 -0.117672 0.404784\n1.931454 4.222130 0.203370\n0.010662 -0.082455 9.454008\nSn H C F\n2 8 4 4\ndirect\n0.799270 0.229715 0.889251 Sn\n0.065823 0.736088 0.385387 Sn\n0.538261 0.139624 0.143650 H\n0.326773 0.826204 0.130974 H\n0.056442 0.626331 0.113088 H\n0.808574 0.339514 0.161547 H\n0.163561 0.166667 0.641568 H\n0.701344 0.799236 0.633028 H\n0.142138 0.631177 0.659827 H\n0.722738 0.334688 0.614828 H\n0.922223 0.137717 0.662465 C\n0.794722 0.132669 0.115401 C\n0.070315 0.833161 0.159236 C\n0.942713 0.828150 0.612164 C\n0.254830 0.255832 0.382080 F\n0.264002 0.338152 0.887524 F\n0.610279 0.709958 0.892580 F\n0.601078 0.627613 0.387116 F\n",
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{
"id": "jvasp-112188",
"created_at": "2022-09-04T14:38:44.075492Z",
"updated_at": "2022-09-04T14:38:44.075518Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n5.151551 0.109811 0.992722\n0.837325 5.580919 2.408254\n0.236630 0.115782 6.130293\nSn H C F\n2 8 4 4\ndirect\n0.444353 0.531875 0.525746 Sn\n0.944362 0.050058 0.007564 Sn\n0.959096 0.305815 0.263373 H\n0.372913 0.280525 0.272648 H\n0.561024 0.097970 0.510533 H\n0.774019 0.480861 0.022770 H\n0.273974 0.547088 0.956525 H\n0.872892 0.797020 0.756153 H\n0.061037 0.034901 0.573658 H\n0.459073 0.787683 0.781496 H\n0.541575 0.270035 0.355499 C\n0.794045 0.309910 0.178975 C\n0.294017 0.703296 0.785579 C\n0.041563 0.879843 0.745700 C\n0.147556 0.770734 0.282667 F\n0.814077 0.397505 0.663906 F\n0.647533 0.807019 0.246475 F\n0.314098 0.188197 0.873198 F\n",
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},
{
"id": "jvasp-111134",
"created_at": "2022-09-04T14:38:37.088547Z",
"updated_at": "2022-09-04T14:38:37.088561Z",
"structure_string": "Co1 H4 Br2 O2\n1.0\n3.729164 0.098574 -0.406935\n-0.720264 5.634212 -0.646686\n0.125496 -0.101553 5.714478\nCo H Br O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.846281 0.214595 0.615691 H\n0.153720 0.384310 0.785403 H\n0.846280 0.615689 0.214597 H\n0.153722 0.785404 0.384309 H\n0.438961 0.755280 0.755279 Br\n0.561039 0.244719 0.244721 Br\n0.999999 0.767677 0.232322 O\n1.000000 0.232322 0.767678 O\n",
"nsites": 9,
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],
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"volume": 120.47711473007509,
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},
{
"id": "jvasp-112122",
"created_at": "2022-09-04T14:38:44.065284Z",
"updated_at": "2022-09-04T14:38:44.065297Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.215579 0.271648 -1.056594\n-1.567870 5.868931 -1.300989\n0.241601 0.258922 7.102585\nSn H C F\n2 8 4 4\ndirect\n0.978834 0.628740 0.541511 Sn\n0.914130 0.109083 0.027609 Sn\n0.664590 0.232375 0.715440 H\n0.300989 0.566669 0.879680 H\n0.243356 0.321544 0.692650 H\n0.739187 0.466375 0.914411 H\n0.898714 0.026671 0.480699 H\n0.693325 0.757670 0.145742 H\n0.095990 0.750895 0.130940 H\n0.298106 -0.003562 0.468507 H\n0.123399 0.443434 0.764882 C\n0.849378 0.342271 0.836324 C\n0.045642 0.918696 0.415609 C\n0.939144 0.851044 0.194907 C\n0.783372 0.841331 0.773664 F\n0.485989 0.555755 0.453182 F\n0.895576 0.362159 0.289524 F\n0.398106 0.076092 0.990219 F\n",
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{
"id": "jvasp-98620",
"created_at": "2022-09-04T14:35:56.969238Z",
"updated_at": "2022-09-04T14:35:56.969268Z",
"structure_string": "Ba4 H8 C8 O16\n1.0\n8.860846 0.000000 0.000000\n0.000000 7.638982 0.000000\n0.000000 0.000000 6.832715\nBa H C O\n4 8 8 16\ndirect\n0.911403 0.538255 0.327706 Ba\n0.588598 0.461744 0.827706 Ba\n0.411403 0.961744 0.672295 Ba\n0.088598 0.038256 0.172295 Ba\n0.446709 0.699226 0.250777 H\n0.053292 0.300774 0.750777 H\n0.946709 0.800774 0.749224 H\n0.553292 0.199226 0.249223 H\n0.738280 0.045594 0.986282 H\n0.761720 0.954406 0.486281 H\n0.238280 0.454406 0.013719 H\n0.261720 0.545594 0.513719 H\n0.264813 0.400705 0.496085 C\n0.235187 0.599295 -0.003915 C\n0.735187 0.900705 0.003915 C\n0.764814 0.099295 0.503916 C\n0.040971 0.871474 0.677809 C\n0.959029 0.371474 0.822192 C\n0.540971 0.628526 0.322192 C\n0.459029 0.128526 0.177808 C\n0.860189 0.182332 0.402417 O\n0.639811 0.817668 0.902417 O\n0.170477 0.334481 0.377116 O\n0.329523 0.665519 0.877116 O\n0.670477 0.165519 0.622885 O\n0.829524 0.834481 0.122884 O\n0.394012 0.007691 0.273225 O\n0.894012 0.492308 0.726775 O\n0.605989 0.507691 0.226775 O\n0.421732 0.176812 0.005705 O\n0.078268 0.823188 0.505705 O\n0.921732 0.323188 0.994296 O\n0.578269 0.676812 0.494296 O\n0.139811 0.682332 0.097584 O\n0.105989 0.992308 0.773226 O\n0.360189 0.317668 0.597584 O\n",
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},
{
"id": "jvasp-42811",
"created_at": "2022-09-04T14:36:02.307523Z",
"updated_at": "2022-09-04T14:36:02.307550Z",
"structure_string": "Li4 Co1 O2 F2\n1.0\n0.000000 0.000000 3.706071\n3.919240 -3.343982 1.853036\n3.627707 3.056439 -1.853036\nLi Co O F\n4 1 2 2\ndirect\n0.380497 0.468571 0.229565 Li\n0.190566 0.157608 0.538741 Li\n0.809435 0.842392 0.461260 Li\n0.619503 0.531428 0.770436 Li\n0.000000 0.000000 0.000000 Co\n0.730877 0.182616 0.644371 O\n0.269123 0.817384 0.355630 O\n0.902270 0.379812 0.184352 F\n0.097731 0.620188 0.815649 F\n",
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{
"id": "jvasp-98601",
"created_at": "2022-09-04T14:35:56.574714Z",
"updated_at": "2022-09-04T14:35:56.574726Z",
"structure_string": "Zr16 Fe8 H8 O4\n1.0\n6.170092 6.170092 0.000000\n-0.000000 6.170092 6.170092\n6.170092 -0.000000 6.170092\nZr Fe H O\n16 8 8 4\ndirect\n0.682683 0.067317 0.067317 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.317317 0.932682 0.317317 Zr\n0.932682 0.317317 0.932682 Zr\n0.932682 0.932682 0.317317 Zr\n0.317317 0.317317 0.932682 Zr\n0.317317 0.932682 0.932682 Zr\n0.682683 0.067317 0.682683 Zr\n0.067317 0.682683 0.067317 Zr\n0.682683 0.682683 0.067317 Zr\n0.067317 0.067317 0.682683 Zr\n0.067317 0.682683 0.682683 Zr\n0.932682 0.317317 0.317317 Zr\n0.298157 0.298157 0.605528 Fe\n0.298157 0.298157 0.298157 Fe\n0.605528 0.298157 0.298157 Fe\n0.298157 0.605528 0.298157 Fe\n0.701843 0.701843 0.394471 Fe\n0.394471 0.701843 0.701843 Fe\n0.701843 0.394471 0.701843 Fe\n0.701843 0.701843 0.701843 Fe\n0.782069 0.153793 0.782069 H\n0.782069 0.782069 0.153793 H\n0.153793 0.782069 0.782069 H\n0.782069 0.782069 0.782069 H\n0.217931 0.846207 0.217931 H\n0.217931 0.217931 0.846207 H\n0.846207 0.217931 0.217931 H\n0.217931 0.217931 0.217931 H\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:56.387056Z",
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"structure_string": "Tb2 Al4 Ni1 Ge2\n1.0\n4.069120 0.000000 -0.850538\n-0.177781 4.065234 -0.850538\n-0.001019 -0.001065 10.154078\nTb Al Ni Ge\n2 4 1 2\ndirect\n0.813585 0.813583 0.627169 Tb\n0.186415 0.186415 0.372831 Tb\n0.932593 0.432591 0.865185 Al\n0.432593 0.932591 0.865185 Al\n0.567407 0.067407 0.134815 Al\n0.067407 0.567407 0.134814 Al\n0.000000 0.000000 0.000000 Ni\n0.662839 0.662838 0.325678 Ge\n0.337161 0.337160 0.674322 Ge\n",
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},
{
"id": "jvasp-112121",
"created_at": "2022-09-04T14:38:42.774105Z",
"updated_at": "2022-09-04T14:38:42.774136Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.290473 -0.142703 0.025204\n1.690745 4.084764 0.733509\n-0.078097 0.061539 9.827356\nSn H C F\n2 8 4 4\ndirect\n0.853086 0.365795 0.988911 Sn\n0.175558 0.104015 0.507894 Sn\n0.216533 0.922410 0.192936 H\n0.239139 0.434733 0.266267 H\n0.812103 0.547462 0.303888 H\n0.789493 0.035154 0.230552 H\n0.892095 0.608934 0.725947 H\n0.136573 0.860909 0.770868 H\n0.400196 0.087690 0.762461 H\n0.628458 0.382169 0.734338 H\n0.874256 0.374327 0.768290 C\n0.989523 0.126975 0.201603 C\n0.039108 0.342905 0.295208 C\n0.154400 0.095518 0.728511 C\n0.698957 0.989718 0.504530 F\n0.329703 0.480095 0.992207 F\n0.699961 0.854689 0.993569 F\n0.328759 0.615112 0.503262 F\n",
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{
"id": "jvasp-112367",
"created_at": "2022-09-04T14:38:39.373971Z",
"updated_at": "2022-09-04T14:38:39.373984Z",
"structure_string": "Dy2 B8 Ir4 Rh4\n1.0\n5.369623 -0.000000 0.000000\n0.000000 5.369623 0.000000\n0.000000 -0.000000 7.476848\nDy B Ir Rh\n2 8 4 4\ndirect\n0.500000 0.000000 0.247104 Dy\n-0.000000 0.500000 0.747104 Dy\n-0.000000 0.831659 0.100629 B\n0.831659 0.000000 0.600629 B\n0.168341 0.000000 0.600629 B\n-0.000000 0.168341 0.100629 B\n0.500000 0.328366 0.901977 B\n0.671633 0.500000 0.401977 B\n0.328366 0.500000 0.401977 B\n0.500000 0.671633 0.901977 B\n0.752038 0.500000 0.104105 Ir\n0.247962 0.500000 0.104105 Ir\n0.500000 0.752038 0.604105 Ir\n0.500000 0.247962 0.604105 Ir\n-0.000000 0.749500 0.394737 Rh\n0.749500 0.000000 0.894737 Rh\n0.250499 0.000000 0.894737 Rh\n-0.000000 0.250499 0.394737 Rh\n",
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{
"id": "jvasp-110908",
"created_at": "2022-09-04T14:38:43.261131Z",
"updated_at": "2022-09-04T14:38:43.261148Z",
"structure_string": "K2 Ce1 Cu2 S4\n1.0\n7.074150 0.012441 2.457444\n5.956528 3.816218 2.457444\n0.010244 0.003010 7.495934\nK Ce Cu S\n2 1 2 4\ndirect\n0.864231 0.864232 0.560358 K\n0.135768 0.135769 0.439641 K\n0.000000 0.000000 0.000000 Ce\n0.680193 0.680193 0.012900 Cu\n0.319807 0.319807 0.987099 Cu\n0.798104 0.798105 0.177361 S\n0.201895 0.201896 0.822637 S\n0.521619 0.521620 0.239533 S\n0.478380 0.478381 0.760466 S\n",
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]
}