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{
"id": "jvasp-34968",
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{
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"structure_string": "Ba2 Sr4 I12\n1.0\n12.601910 -0.442504 1.577140\n10.250096 7.344351 1.577140\n0.269044 0.081258 8.243485\nBa Sr I\n2 4 12\ndirect\n0.753083 0.246917 0.250000 Ba\n0.246916 0.753084 0.750000 Ba\n0.018269 0.626997 0.230717 Sr\n0.626997 0.018269 0.730717 Sr\n0.373003 0.981731 0.269282 Sr\n0.981730 0.373003 0.769282 Sr\n0.029766 0.154216 0.512342 I\n0.154216 0.029766 0.012343 I\n0.724155 0.739724 0.517312 I\n0.739723 0.724156 0.017312 I\n0.260276 0.275845 0.982687 I\n0.970234 0.845785 0.487657 I\n0.845784 0.970234 0.987657 I\n0.503218 0.644298 0.389290 I\n0.496781 0.355703 0.610709 I\n0.355703 0.496782 0.110710 I\n0.275844 0.260277 0.482688 I\n0.644297 0.503219 0.889290 I\n",
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{
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"structure_string": "Ba4 Re12 S22\n1.0\n8.530668 0.004029 8.498063\n3.532137 7.765071 8.498063\n0.006255 0.004029 12.041152\nBa Re S\n4 12 22\ndirect\n0.811954 0.811953 0.811951 Ba\n0.688048 0.688047 0.688046 Ba\n0.188048 0.188047 0.188047 Ba\n0.311953 0.311953 0.311952 Ba\n0.381292 0.708585 0.511529 Re\n0.791415 0.118709 0.988469 Re\n0.618709 0.291415 0.488470 Re\n0.118710 0.988470 0.791414 Re\n0.488471 0.618709 0.291414 Re\n0.011530 0.208585 0.881290 Re\n0.208586 0.881291 0.011529 Re\n0.881291 0.011530 0.208585 Re\n0.988471 0.791415 0.118708 Re\n0.511530 0.381291 0.708584 Re\n0.291415 0.488470 0.618708 Re\n0.708586 0.511530 0.381290 Re\n0.187384 0.793819 0.427978 S\n0.793819 0.427979 0.187382 S\n0.427980 0.187383 0.793818 S\n0.590904 0.590904 0.590903 S\n0.706182 0.312617 0.072020 S\n0.909097 0.909096 0.909095 S\n0.409097 0.409096 0.409096 S\n0.090904 0.090904 0.090904 S\n0.484295 0.750000 0.015705 S\n0.750000 0.015706 0.484294 S\n0.015706 0.484294 0.749999 S\n0.515706 0.250000 0.984293 S\n0.250001 0.984294 0.515705 S\n0.984295 0.515706 0.249999 S\n0.206182 0.572021 0.812616 S\n0.572022 0.812617 0.206181 S\n0.812618 0.206181 0.572020 S\n0.687384 0.927979 0.293818 S\n0.927980 0.293819 0.687382 S\n0.293820 0.687383 0.927978 S\n0.072021 0.706181 0.312617 S\n0.312618 0.072021 0.706181 S\n",
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{
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"created_at": "2022-09-04T14:36:05.861235Z",
"updated_at": "2022-09-04T14:36:05.861264Z",
"structure_string": "Sr12 Li8\n1.0\n8.602322 0.000000 0.000000\n0.000000 9.625591 -0.000000\n0.000000 -0.000000 9.625591\nSr Li\n12 8\ndirect\n0.500000 0.649675 0.649675 Sr\n0.250000 0.500000 0.000000 Sr\n0.750000 0.500000 0.000000 Sr\n0.000000 0.287824 0.287824 Sr\n0.500000 0.212176 0.787824 Sr\n0.500000 0.787824 0.212176 Sr\n0.000000 0.712176 0.712176 Sr\n0.000000 0.850325 0.149675 Sr\n0.500000 0.350325 0.350325 Sr\n0.250000 0.000000 0.500000 Sr\n0.000000 0.149675 0.850325 Sr\n0.750000 0.000000 0.500000 Sr\n0.318767 0.112913 0.112913 Li\n0.818767 0.387087 0.612913 Li\n0.818767 0.612913 0.387087 Li\n0.318767 0.887087 0.887087 Li\n0.181233 0.612913 0.387087 Li\n0.181233 0.387087 0.612913 Li\n0.681233 0.112913 0.112913 Li\n0.681233 0.887087 0.887087 Li\n",
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{
"id": "jvasp-61044",
"created_at": "2022-09-04T14:36:01.742117Z",
"updated_at": "2022-09-04T14:36:01.742147Z",
"structure_string": "As16 Se12\n1.0\n8.027923 -0.000000 0.000000\n0.000000 9.430569 0.000000\n0.000000 0.000000 10.528332\nAs Se\n16 12\ndirect\n0.250000 0.030577 0.087769 As\n0.591596 0.140845 0.772659 As\n0.408403 0.359155 0.272659 As\n0.908403 0.640845 0.727341 As\n0.408403 0.859156 0.227341 As\n0.591596 0.640845 0.727341 As\n0.908403 0.140845 0.772659 As\n0.091596 0.359155 0.272659 As\n0.091596 0.859156 0.227341 As\n0.750000 0.834374 0.434245 As\n0.750000 0.334374 0.065755 As\n0.250000 0.165626 0.565755 As\n0.250000 0.530577 0.412231 As\n0.750000 0.969423 0.912231 As\n0.750000 0.469423 0.587769 As\n0.250000 0.665626 0.934245 As\n0.750000 0.082739 0.115816 Se\n0.250000 0.417261 0.615816 Se\n0.521875 0.332146 0.913620 Se\n0.478125 0.167855 0.413620 Se\n0.021875 0.667855 0.086380 Se\n0.521875 0.832146 0.586380 Se\n0.478125 0.667855 0.086380 Se\n0.978124 0.332146 0.913620 Se\n0.021875 0.167855 0.413620 Se\n0.750000 0.582739 0.384184 Se\n0.978124 0.832146 0.586380 Se\n0.250000 0.917261 0.884184 Se\n",
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{
"id": "jvasp-22944",
"created_at": "2022-09-04T14:38:28.581224Z",
"updated_at": "2022-09-04T14:38:28.581250Z",
"structure_string": "K8 Ga8 S16\n1.0\n7.341067 0.006048 -0.923365\n-0.122210 7.340047 -0.923365\n-0.006127 -0.006233 14.804676\nK Ga S\n8 8 16\ndirect\n0.672941 0.549488 0.448462 K\n0.242115 0.117890 0.724387 K\n0.672879 0.047722 0.446786 K\n0.047722 0.672880 0.946787 K\n0.744111 0.118610 0.726098 K\n0.118609 0.744112 0.226098 K\n0.549487 0.672942 0.948463 K\n0.117890 0.242115 0.224387 K\n0.808715 0.186561 -0.001606 Ga\n0.186532 0.314079 0.498259 Ga\n0.314079 0.186532 -0.001741 Ga\n0.605421 0.477664 0.174689 Ga\n0.477664 0.605421 0.674689 Ga\n0.982970 0.605340 0.674377 Ga\n0.605339 0.982971 0.174377 Ga\n0.186561 0.808715 0.498394 Ga\n0.840239 0.464948 0.086778 S\n0.037866 0.163562 0.904734 S\n0.163561 0.037867 0.404735 S\n0.839897 0.951648 0.086263 S\n0.537339 0.163202 0.901955 S\n0.326779 0.464945 0.086596 S\n0.464945 0.326779 0.586597 S\n0.628778 0.753964 0.268136 S\n0.753963 0.628779 0.768136 S\n0.951568 0.326862 0.586083 S\n0.326861 0.951567 0.086083 S\n0.254252 0.629624 0.770899 S\n0.629624 0.254252 0.270899 S\n0.464946 0.840239 0.586778 S\n0.951648 0.839898 0.586263 S\n0.163202 0.537339 0.401954 S\n",
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{
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"updated_at": "2022-09-04T14:38:29.141978Z",
"structure_string": "Ba4 Sn4 Hg4 S16\n1.0\n6.693170 0.000000 0.000000\n0.000000 10.876261 0.000000\n0.000000 0.000000 10.979492\nBa Sn Hg S\n4 4 4 16\ndirect\n0.037375 0.000000 0.500000 Ba\n0.537375 0.500000 0.000000 Ba\n0.569645 0.500000 0.500000 Ba\n0.069645 0.000000 0.000000 Ba\n0.537320 0.790305 0.262836 Sn\n0.037320 0.290305 0.237164 Sn\n0.037320 0.709695 0.762836 Sn\n0.537320 0.209695 0.737163 Sn\n0.517729 0.824725 0.694125 Hg\n0.017729 0.324725 0.805875 Hg\n0.517729 0.175275 0.305875 Hg\n0.017729 0.675275 0.194125 Hg\n0.249083 0.274794 0.421319 S\n0.840738 0.903777 0.756276 S\n0.297261 0.951345 0.255983 S\n0.340738 0.403777 0.743724 S\n0.840738 0.096223 0.243724 S\n0.340738 0.596223 0.256276 S\n0.797261 0.548655 0.755983 S\n0.249083 0.725206 0.578680 S\n0.763960 0.233905 0.571010 S\n0.749083 0.774794 0.078681 S\n0.297261 0.048655 0.744017 S\n0.797261 0.451345 0.244017 S\n0.749083 0.225206 0.921319 S\n0.763960 0.766095 0.428990 S\n0.263960 0.733905 0.928990 S\n0.263960 0.266095 0.071010 S\n",
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{
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"created_at": "2022-09-04T14:37:42.314349Z",
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"structure_string": "Pd12 S12 Cl12\n1.0\n0.000000 7.729347 -0.027330\n11.979054 0.000000 0.000000\n0.000000 -3.299926 -8.624024\nPd S Cl\n12 12 12\ndirect\n0.603628 0.372530 0.098010 Pd\n0.349047 0.750000 0.439562 Pd\n0.650953 0.250000 0.560438 Pd\n0.658807 0.750000 0.795286 Pd\n0.909872 0.125465 0.453288 Pd\n0.090128 0.625465 0.546712 Pd\n0.341193 0.250000 0.204714 Pd\n0.909872 0.374535 0.453288 Pd\n0.603628 0.127469 0.098010 Pd\n0.396372 0.627469 0.901989 Pd\n0.396372 0.872530 0.901989 Pd\n0.090128 0.874535 0.546712 Pd\n0.918081 0.339670 0.208671 S\n0.360337 0.970461 0.678110 S\n0.918081 0.160330 0.208671 S\n0.081919 0.660330 0.791329 S\n0.081919 0.839670 0.791329 S\n0.548678 0.878597 0.598339 S\n0.451322 0.378597 0.401661 S\n0.639663 0.470461 0.321889 S\n0.548678 0.621402 0.598339 S\n0.639663 0.029538 0.321889 S\n0.360337 0.529538 0.678110 S\n0.451322 0.121403 0.401661 S\n0.587707 0.250000 0.886264 Cl\n0.728871 0.603944 0.985942 Cl\n0.271129 0.103944 0.014058 Cl\n0.412292 0.750000 0.113736 Cl\n0.728871 0.896055 0.985942 Cl\n0.168189 0.250000 0.568075 Cl\n0.140265 0.897083 0.304426 Cl\n0.140265 0.602916 0.304426 Cl\n0.859735 0.102916 0.695574 Cl\n0.859735 0.397083 0.695574 Cl\n0.831810 0.750000 0.431925 Cl\n0.271129 0.396056 0.014058 Cl\n",
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{
"id": "jvasp-98483",
"created_at": "2022-09-04T14:35:57.965711Z",
"updated_at": "2022-09-04T14:35:57.965723Z",
"structure_string": "Sm12 Si8 Cl4 O32\n1.0\n6.295936 0.000000 0.000000\n-0.000000 7.045851 0.000000\n0.000000 0.000000 18.065009\nSm Si Cl O\n12 8 4 32\ndirect\n0.116324 0.200479 0.250000 Sm\n0.873525 0.481560 0.408401 Sm\n0.373524 0.018439 0.591599 Sm\n0.626476 0.981560 0.091599 Sm\n0.126476 0.518439 0.908401 Sm\n0.126476 0.518439 0.591599 Sm\n0.616324 0.299521 0.750000 Sm\n0.373524 0.018439 0.908401 Sm\n0.873525 0.481560 0.091599 Sm\n0.883677 0.799521 0.750000 Sm\n0.383676 0.700479 0.250000 Sm\n0.626476 0.981560 0.408401 Sm\n0.377963 0.472461 0.099584 Si\n0.877963 0.027539 0.900416 Si\n0.122037 0.972461 0.400416 Si\n0.622038 0.527539 0.599584 Si\n0.377963 0.472461 0.400416 Si\n0.877963 0.027539 0.599584 Si\n0.622038 0.527539 0.900416 Si\n0.122037 0.972461 0.099584 Si\n0.756339 0.446542 0.250000 Cl\n0.743662 0.946542 0.250000 Cl\n0.243662 0.553458 0.750000 Cl\n0.256338 0.053458 0.750000 Cl\n0.029415 0.840305 0.881500 O\n0.970585 0.159694 0.381500 O\n0.470585 0.340306 0.618500 O\n0.529416 0.659694 0.118500 O\n0.213714 0.485679 0.469660 O\n0.470585 0.340306 0.881500 O\n0.713714 0.014321 0.530340 O\n0.286287 0.985679 0.030340 O\n0.786287 0.514321 0.969660 O\n0.786287 0.514321 0.530340 O\n0.286287 0.985679 0.469660 O\n0.713714 0.014321 0.969660 O\n0.213714 0.485679 0.030340 O\n0.221711 0.462084 0.325374 O\n0.721711 0.037916 0.674626 O\n0.278289 0.962084 0.174626 O\n0.778290 0.537916 0.825374 O\n0.529416 0.659694 0.381500 O\n0.778290 0.537916 0.674626 O\n0.721711 0.037916 0.825374 O\n0.221711 0.462084 0.174626 O\n0.549386 0.300368 0.404501 O\n0.049386 0.199632 0.595500 O\n0.950615 0.800367 0.095499 O\n0.450615 0.699632 0.904501 O\n0.450615 0.699632 0.595500 O\n0.950615 0.800367 0.404501 O\n0.049386 0.199632 0.904501 O\n0.549386 0.300368 0.095499 O\n0.970585 0.159694 0.118500 O\n0.278289 0.962084 0.325374 O\n0.029415 0.840305 0.618500 O\n",
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{
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