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{
"id": "jvasp-103864",
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{
"id": "jvasp-114338",
"created_at": "2022-09-04T14:38:41.514585Z",
"updated_at": "2022-09-04T14:38:41.514609Z",
"structure_string": "Mg1 Si1 N2\n1.0\n2.955592 0.000000 -0.000000\n-0.000000 2.955592 0.000000\n-0.000000 -0.000000 3.949277\nMg Si N\n1 1 2\ndirect\n0.500000 0.500000 0.502496 Mg\n0.000000 0.000000 0.002492 Si\n0.000000 0.000000 0.502505 N\n0.500000 0.500000 0.002506 N\n",
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{
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"updated_at": "2022-09-04T14:36:53.204697Z",
"structure_string": "Li2 Cr1 Ni1 O4\n1.0\n2.876844 0.000000 0.000000\n-0.000000 4.746868 1.734961\n-0.000000 0.058335 5.074094\nLi Cr Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.500001 0.499999 Cr\n0.499999 0.500000 -0.000000 Ni\n0.000000 0.280776 0.247313 O\n0.499999 0.265419 0.730236 O\n0.000000 0.719225 0.752685 O\n0.499999 0.734582 0.269763 O\n",
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{
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"updated_at": "2022-09-04T14:38:03.838709Z",
"structure_string": "Dy2 H6 O6\n1.0\n3.136184 -5.432029 -0.000000\n3.136183 5.432029 0.000000\n0.000000 0.000000 3.544117\nDy H O\n2 6 6\ndirect\n0.666666 0.333332 0.250000 Dy\n0.333332 0.666666 0.750001 Dy\n0.134242 0.274014 0.250000 H\n0.274014 0.139771 0.750001 H\n0.725985 0.860228 0.250000 H\n0.865756 0.725985 0.750001 H\n0.860228 0.134242 0.750001 H\n0.139771 0.865757 0.250000 H\n0.393765 0.083589 0.750001 O\n0.310176 0.393765 0.250000 O\n0.606233 0.916410 0.250000 O\n0.689823 0.606234 0.750001 O\n0.916410 0.310176 0.750001 O\n0.083589 0.689823 0.250000 O\n",
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{
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"structure_string": "Li2 Ti1 Mn1 O4\n1.0\n0.000000 5.167818 -0.192315\n2.901113 0.000000 0.000000\n0.000000 -1.720155 -4.539019\nLi Ti Mn O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.499999 0.500000 Li\n0.500001 0.000000 0.500001 Ti\n0.500000 0.499999 0.000000 Mn\n0.733880 0.000000 0.236438 O\n0.738004 0.499999 0.742198 O\n0.266122 0.000000 0.763563 O\n0.261997 0.499999 0.257803 O\n",
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},
{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
"nsites": 20,
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{
"id": "jvasp-39102",
"created_at": "2022-09-04T14:37:51.545693Z",
"updated_at": "2022-09-04T14:37:51.545726Z",
"structure_string": "Si1 B1 O3\n1.0\n3.507001 0.000000 0.000000\n0.000000 3.507001 0.000000\n0.000000 0.000000 3.508140\nSi B O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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},
{
"id": "jvasp-35050",
"created_at": "2022-09-04T14:37:31.926608Z",
"updated_at": "2022-09-04T14:37:31.926633Z",
"structure_string": "Re2 N4\n1.0\n4.403961 -0.000000 0.000000\n-0.000000 4.403961 0.000000\n-0.000000 -0.000000 2.669751\nRe N\n2 4\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.500000 Re\n0.114365 0.614365 0.000000 N\n0.885635 0.385635 0.000000 N\n0.614365 0.885635 0.000000 N\n0.385635 0.114365 0.000000 N\n",
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},
{
"id": "jvasp-112904",
"created_at": "2022-09-04T14:38:44.577805Z",
"updated_at": "2022-09-04T14:38:44.577835Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.658455 0.000171 -1.621070\n-0.000225 5.808450 0.000013\n0.037539 -0.000016 5.090560\nLi Mn Co O\n4 2 2 8\ndirect\n0.500004 0.004591 0.500003 Li\n-0.000004 0.245415 0.499998 Li\n0.500001 0.498299 0.500003 Li\n0.000002 0.751697 0.499998 Li\n-0.000001 0.498107 -0.000001 Mn\n0.500001 0.751890 0.000002 Mn\n0.499994 0.233852 -0.000000 Co\n0.000006 0.016148 -0.000000 Co\n0.735980 0.979677 0.242585 O\n0.235979 0.270322 0.242588 O\n0.264025 0.979675 0.757412 O\n0.764022 0.270320 0.757418 O\n0.750149 0.512225 0.221148 O\n0.250158 0.737776 0.221150 O\n0.249853 0.512226 0.778851 O\n0.749848 0.737776 0.778851 O\n",
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{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
"updated_at": "2022-09-04T14:36:04.979510Z",
"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
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"formula_full": "Li2 H40 C16 Br2 O8",
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{
"id": "jvasp-96941",
"created_at": "2022-09-04T14:36:15.220258Z",
"updated_at": "2022-09-04T14:36:15.220285Z",
"structure_string": "Ca2 Al2 B6 O14\n1.0\n4.397857 0.000000 -0.000000\n0.000000 6.843360 -1.971377\n0.000000 -0.703465 7.086822\nCa Al B O\n2 2 6 14\ndirect\n0.000000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.541943 0.137117 0.862883 B\n0.458058 0.637117 0.362883 B\n0.500000 0.250000 0.250000 B\n0.541943 0.362884 0.637116 B\n0.458058 0.862883 0.137116 B\n0.500000 0.750000 0.750000 B\n0.699718 0.926372 0.780263 O\n0.328954 0.750000 0.250000 O\n0.671047 0.250001 0.750000 O\n0.699718 0.280264 0.426371 O\n0.224051 0.131738 0.868263 O\n0.300283 0.780264 0.926371 O\n0.224051 0.368263 0.631737 O\n0.300283 0.073629 0.219737 O\n0.300283 0.719737 0.573628 O\n0.300283 0.426371 0.280263 O\n0.699718 0.219737 0.073629 O\n0.775949 0.868263 0.131737 O\n0.699718 0.573629 0.719736 O\n0.775949 0.631737 0.368262 O\n",
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"elements": [
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],
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]
}