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{
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{
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{
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"structure_string": "Bi1 N1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nBi N\n1 1\ndirect\n0.000000 0.000000 0.821279 Bi\n0.000000 0.000000 0.178720 N\n",
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{
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"structure_string": "Na8 Si8\n1.0\n6.112129 -0.000000 2.047175\n2.898544 6.006412 1.493886\n-0.063366 0.097086 10.337083\nNa Si\n8 8\ndirect\n0.727394 0.181159 0.547330 Na\n0.455883 0.318841 0.952669 Na\n0.272604 0.818841 0.452670 Na\n0.544115 0.681159 0.047330 Na\n0.970709 0.854148 0.856241 Na\n0.681100 0.645852 0.643758 Na\n0.029289 0.145852 0.143758 Na\n0.318899 0.354148 0.356242 Na\n0.948870 0.333811 0.859178 Si\n0.141860 0.166190 0.640821 Si\n0.051129 0.666190 0.140821 Si\n0.858139 0.833810 0.359179 Si\n0.239411 0.443451 0.688948 Si\n0.371810 0.056550 0.811052 Si\n0.760588 0.556550 0.311052 Si\n0.628189 0.943450 0.188948 Si\n",
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{
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"updated_at": "2022-09-04T14:38:09.631928Z",
"structure_string": "Li8 S4\n1.0\n3.786862 -0.000000 0.000000\n-0.000000 6.269512 0.000000\n0.000000 0.000000 7.198415\nLi S\n8 4\ndirect\n0.250000 0.859061 0.071940 Li\n0.750000 0.140939 0.928061 Li\n0.250000 0.359061 0.428060 Li\n0.750000 0.640939 0.571940 Li\n0.750000 0.021257 0.335405 Li\n0.250000 0.978743 0.664596 Li\n0.750000 0.521257 0.164596 Li\n0.250000 0.478743 0.835405 Li\n0.250000 0.245202 0.109961 S\n0.750000 0.754798 0.890039 S\n0.250000 0.745202 0.390039 S\n0.750000 0.254798 0.609962 S\n",
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{
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"updated_at": "2022-09-04T14:35:47.924199Z",
"structure_string": "Li12 B4 N8\n1.0\n-3.284360 3.284360 5.141010\n3.284360 -3.284360 5.141010\n3.284360 3.284360 -5.141010\nLi B N\n12 4 8\ndirect\n0.476104 0.523896 0.500000 Li\n0.273896 0.726104 0.000000 Li\n0.726104 0.273896 0.000000 Li\n0.023896 0.523896 0.047793 Li\n0.124638 0.124638 0.000000 Li\n0.874638 0.374638 0.500000 Li\n0.625362 0.125362 0.500000 Li\n0.875362 0.875362 0.000000 Li\n0.273896 0.273896 0.547793 Li\n0.726104 0.726104 0.452207 Li\n0.023896 0.976104 0.500000 Li\n0.476104 0.976104 0.952207 Li\n0.353739 0.353739 0.000000 B\n0.646261 0.646261 0.000000 B\n0.396261 0.896261 0.500000 B\n0.103739 0.603739 0.500000 B\n0.553748 0.349348 0.204400 N\n0.144948 0.349348 0.795600 N\n0.099348 0.394948 0.295600 N\n0.099348 0.803748 0.704400 N\n0.605052 0.900652 0.704400 N\n0.196252 0.900652 0.295600 N\n0.650652 0.855052 0.204400 N\n0.650652 0.446252 0.795600 N\n",
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{
"id": "jvasp-78331",
"created_at": "2022-09-04T14:37:09.231123Z",
"updated_at": "2022-09-04T14:37:09.231142Z",
"structure_string": "Mg1\n1.0\n0.000000 -0.000000 3.369121\n-1.831134 1.831134 1.684560\n-1.831134 -1.831134 1.684560\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "jvasp-117876",
"created_at": "2022-09-04T14:38:50.439994Z",
"updated_at": "2022-09-04T14:38:50.440024Z",
"structure_string": "C2 N2 Cl2\n1.0\n3.731143 0.000000 0.000000\n0.000000 5.429162 0.000000\n0.000000 0.000000 5.639953\nC N Cl\n2 2 2\ndirect\n0.499999 0.500000 0.565739 C\n0.000000 0.000000 0.434261 C\n0.000000 0.000000 0.641145 N\n0.499999 0.500000 0.358855 N\n0.499999 0.500000 0.852633 Cl\n0.000000 0.000000 0.147367 Cl\n",
"nsites": 6,
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{
"id": "jvasp-38338",
"created_at": "2022-09-04T14:37:52.161106Z",
"updated_at": "2022-09-04T14:37:52.161128Z",
"structure_string": "Rb1 Ca3\n1.0\n-2.922372 2.922372 5.594385\n2.922372 -2.922372 5.594385\n2.922372 2.922372 -5.594385\nRb Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.749999 0.250000 0.499999 Ca\n0.250000 0.749999 0.499999 Ca\n0.500000 0.500000 0.000000 Ca\n",
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{
"id": "jvasp-97551",
"created_at": "2022-09-04T14:36:11.967900Z",
"updated_at": "2022-09-04T14:36:11.967934Z",
"structure_string": "Na4 B8 H40 O34\n1.0\n5.629664 5.198382 -1.731686\n-5.629664 5.198382 1.731686\n-0.089462 0.000000 12.134179\nNa B H O\n4 8 40 34\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.149275 0.149275 0.750000 Na\n0.850725 0.850725 0.250000 Na\n0.556943 0.356600 0.396324 B\n0.356600 0.556943 0.103676 B\n0.643400 0.443056 0.896324 B\n0.443057 0.643400 0.603676 B\n0.255425 0.431696 0.282758 B\n0.568303 0.744575 0.782758 B\n0.744575 0.568303 0.717242 B\n0.431696 0.255425 0.217242 B\n0.677949 0.069167 0.535973 H\n0.966961 0.228929 0.301523 H\n0.228929 0.966961 0.198477 H\n0.724966 0.886203 0.618847 H\n0.886204 0.724966 0.881153 H\n0.275034 0.113796 0.381153 H\n0.113796 0.275034 0.118847 H\n0.069168 0.677949 0.964027 H\n0.374978 0.139482 0.593297 H\n0.284242 0.479557 0.839700 H\n0.479557 0.284242 0.660300 H\n0.715757 0.520442 0.160300 H\n0.520442 0.715757 0.339700 H\n0.771071 0.033038 0.801523 H\n0.139482 0.374977 0.906703 H\n0.625022 0.860517 0.406703 H\n0.860517 0.625022 0.093297 H\n0.930832 0.322051 0.035973 H\n0.033038 0.771071 0.698477 H\n0.322051 0.930832 0.464027 H\n0.176562 0.770482 0.191721 H\n0.770482 0.176562 0.308279 H\n0.500922 0.992536 0.774984 H\n0.992536 0.500922 0.725016 H\n0.007464 0.499077 0.274984 H\n0.652971 0.424709 0.546400 H\n0.424709 0.652970 0.953600 H\n0.347029 0.575291 0.453600 H\n0.575291 0.347029 0.046400 H\n0.911181 0.315121 0.537101 H\n0.499078 0.007464 0.225016 H\n0.315122 0.911181 0.962899 H\n0.088818 0.684878 0.462899 H\n0.684878 0.088818 0.037101 H\n0.649482 0.925404 0.980690 H\n0.925404 0.649482 0.519310 H\n0.350518 0.074596 0.019310 H\n0.074596 0.350518 0.480690 H\n0.823438 0.229518 0.808279 H\n0.229518 0.823437 0.691721 H\n0.282594 0.032589 0.950070 O\n0.032590 0.282594 0.549931 O\n0.717405 0.967410 0.049930 O\n0.967410 0.717405 0.450070 O\n0.121894 0.871993 0.697442 O\n0.871993 0.121894 0.802558 O\n0.878106 0.128006 0.302558 O\n0.712651 0.953046 0.537211 O\n0.953046 0.712651 0.962789 O\n0.171761 0.409145 0.829743 O\n0.046954 0.287348 0.037211 O\n0.287348 0.046954 0.462789 O\n0.409146 0.171761 0.670257 O\n0.679458 0.347187 0.498402 O\n0.128006 0.878106 0.197442 O\n0.347187 0.679458 0.001598 O\n0.583385 0.541701 0.624759 O\n0.652813 0.320541 0.998402 O\n0.590854 0.828239 0.329743 O\n0.736241 0.736241 0.750000 O\n0.263759 0.263759 0.250000 O\n0.738996 0.422778 0.819375 O\n0.422778 0.738995 0.680625 O\n0.261004 0.577222 0.180625 O\n0.320542 0.652813 0.501598 O\n0.577222 0.261004 0.319375 O\n0.416615 0.458299 0.375241 O\n0.458299 0.416615 0.124759 O\n0.898377 0.568429 0.670628 O\n0.568430 0.898377 0.829372 O\n0.101623 0.431570 0.329372 O\n0.431570 0.101623 0.170628 O\n0.541701 0.583385 0.875241 O\n0.828239 0.590854 0.170257 O\n",
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{
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"created_at": "2022-09-04T14:35:45.187298Z",
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"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
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{
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"created_at": "2022-09-04T14:37:09.154267Z",
"updated_at": "2022-09-04T14:37:09.154286Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n4.445473 0.127737 0.562585\n1.220690 4.482921 -0.135720\n0.461507 -0.078519 11.227056\nZn H C O\n1 12 8 4\ndirect\n-0.010901 0.033018 0.820749 Zn\n0.022294 0.694655 0.515211 H\n0.817170 0.352840 0.115157 H\n0.503743 0.407575 0.035790 H\n0.415940 0.519492 0.316684 H\n0.105245 0.568110 0.234294 H\n0.211929 0.069449 0.390864 H\n0.699931 0.743218 0.437346 H\n0.613777 0.900503 0.197500 H\n0.300263 0.954198 0.115964 H\n0.831240 0.253826 0.580024 H\n0.493611 0.282391 0.511612 H\n0.897635 0.114602 0.310503 H\n0.849864 0.619928 0.965170 C\n0.654691 0.525290 0.071732 C\n0.457450 0.786890 0.163001 C\n0.258904 0.686058 0.268777 C\n0.862627 0.856638 0.467236 C\n0.672838 0.130471 0.555491 C\n0.498219 0.041854 0.668355 C\n0.057143 0.950007 0.358264 C\n-0.056184 0.463890 0.864181 O\n0.575325 0.054364 0.771969 O\n0.253764 0.958775 0.658018 O\n0.912471 0.870266 0.978470 O\n",
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]
}