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{
"id": "jvasp-55788",
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{
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"structure_string": "Li4 Mn2 C2 S2 O14\n1.0\n0.000000 4.816383 -0.036498\n6.387049 0.000000 0.000000\n0.000000 -1.197119 -9.063637\nLi Mn C S O\n4 2 2 2 14\ndirect\n0.783249 0.483267 0.167661 Li\n0.783249 0.016733 0.167661 Li\n0.216751 0.983267 0.832340 Li\n0.216751 0.516733 0.832340 Li\n0.255951 0.250000 0.366196 Mn\n0.744049 0.750000 0.633804 Mn\n0.272606 0.250000 0.070967 C\n0.727393 0.750000 0.929034 C\n0.234101 0.750000 0.396643 S\n0.765898 0.250000 0.603357 S\n0.518788 0.750000 0.820228 O\n0.873913 0.063256 0.687940 O\n0.873913 0.436744 0.687940 O\n0.149881 0.750000 0.546567 O\n0.453301 0.250000 0.586722 O\n0.546698 0.750000 0.413278 O\n0.021577 0.250000 0.107482 O\n0.126086 0.563256 0.312060 O\n0.126086 0.936745 0.312060 O\n0.481212 0.250000 0.179773 O\n0.978422 0.750000 0.892519 O\n0.677366 0.750000 0.063334 O\n0.850118 0.250000 0.453434 O\n0.322633 0.250000 0.936666 O\n",
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{
"id": "jvasp-36870",
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"structure_string": "H12 C2 I2 N2\n1.0\n0.000000 5.013888 0.161707\n5.116281 0.000000 0.000000\n0.000000 -0.305702 -8.871762\nH C I N\n12 2 2 2\ndirect\n0.896097 0.250000 0.842252 H\n0.183761 0.925566 0.412581 H\n0.495216 0.750000 0.427007 H\n0.183761 0.574433 0.412581 H\n0.396745 0.585755 0.174706 H\n0.103904 0.750000 0.157747 H\n0.396745 0.914245 0.174706 H\n0.504785 0.250000 0.572992 H\n0.816240 0.425566 0.587418 H\n0.603256 0.085755 0.825294 H\n0.603256 0.414245 0.825294 H\n0.816240 0.074434 0.587418 H\n0.711095 0.250000 0.621982 C\n0.288906 0.750000 0.378017 C\n0.775794 0.250000 0.191061 I\n0.224207 0.750000 0.808939 I\n0.705947 0.250000 0.789291 N\n0.294054 0.750000 0.210708 N\n",
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{
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"structure_string": "Hf2 S6\n1.0\n0.000000 5.123018 -0.012751\n3.604546 0.000000 0.000000\n0.000000 -1.152323 -8.941920\nHf S\n2 6\ndirect\n0.716064 0.250000 0.345334 Hf\n0.283937 0.750001 0.654666 Hf\n0.120484 0.250000 0.830229 S\n0.879517 0.750001 0.169771 S\n0.762022 0.750001 0.553434 S\n0.237979 0.250000 0.446566 S\n0.471062 0.750001 0.172751 S\n0.528939 0.250000 0.827249 S\n",
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{
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"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
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{
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"created_at": "2022-09-04T14:38:17.854090Z",
"updated_at": "2022-09-04T14:38:17.854105Z",
"structure_string": "Ta4 Se12\n1.0\n3.523998 0.000000 0.000000\n0.000000 9.548530 -2.823773\n0.000000 0.001063 10.655309\nTa Se\n4 12\ndirect\n0.750000 0.048587 0.329268 Ta\n0.250000 0.951412 0.670733 Ta\n0.750000 0.375219 0.807579 Ta\n0.250000 0.624780 0.192421 Ta\n0.750000 0.119620 0.601090 Se\n0.250000 0.880380 0.398910 Se\n0.750000 0.740796 0.612223 Se\n0.250000 0.259203 0.387778 Se\n0.250000 0.576743 0.915796 Se\n0.750000 0.423256 0.084204 Se\n0.250000 0.201072 0.867972 Se\n0.750000 0.798928 0.132028 Se\n0.250000 0.080516 0.155448 Se\n0.750000 0.919483 0.844552 Se\n0.250000 0.423276 0.638603 Se\n0.750000 0.576723 0.361397 Se\n",
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{
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"structure_string": "Cu2 W2 O6 F4\n1.0\n0.000000 3.733931 0.021676\n9.670615 0.000000 0.000000\n0.000000 -1.443131 -5.060031\nCu W O F\n2 2 6 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.784827 0.250000 0.968874 W\n0.215173 0.750000 0.031125 W\n0.124626 0.608341 0.808007 O\n0.875374 0.391659 0.191992 O\n0.875374 0.108341 0.191992 O\n0.255338 0.250000 0.888267 O\n0.744662 0.750000 0.111732 O\n0.124626 0.891660 0.808007 O\n0.345632 0.888733 0.357415 F\n0.654368 0.111267 0.642585 F\n0.654368 0.388733 0.642585 F\n0.345632 0.611267 0.357415 F\n",
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{
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"structure_string": "Na6 V2 B2 P2 O14\n1.0\n0.000000 5.244859 -0.003128\n6.534664 0.000000 0.000000\n0.000000 -0.215833 -8.919875\nNa V B P O\n6 2 2 2 14\ndirect\n0.237892 0.750000 0.073433 Na\n0.750513 0.996628 0.255551 Na\n0.750513 0.503371 0.255551 Na\n0.249487 0.496629 0.744450 Na\n0.249487 0.003371 0.744450 Na\n0.762109 0.250000 0.926568 Na\n0.221322 0.250000 0.333839 V\n0.778679 0.750000 0.666162 V\n0.726627 0.750000 0.935868 B\n0.273374 0.250000 0.064133 B\n0.282689 0.750000 0.421677 P\n0.717312 0.250000 0.578323 P\n0.527209 0.750000 0.825996 O\n0.787145 0.061452 0.677184 O\n0.787145 0.438547 0.677184 O\n0.426779 0.250000 0.539317 O\n0.128159 0.750000 0.566468 O\n0.871842 0.250000 0.433533 O\n0.690151 0.750000 0.084143 O\n0.212856 0.561452 0.322816 O\n0.212856 0.938547 0.322816 O\n0.472792 0.250000 0.174004 O\n0.035754 0.250000 0.132866 O\n0.964247 0.750000 0.867135 O\n0.573222 0.750000 0.460684 O\n0.309850 0.250000 0.915858 O\n",
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{
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"structure_string": "In4 Ga2 Bi2 S12\n1.0\n3.835349 0.000000 0.000000\n0.000000 10.064049 -5.028107\n0.000000 -0.064537 12.400570\nIn Ga Bi S\n4 2 2 12\ndirect\n0.250000 0.738697 0.777238 In\n0.750000 0.261303 0.222761 In\n0.750000 0.051157 0.644874 In\n0.250000 0.948843 0.355126 In\n0.250000 0.170042 0.908109 Ga\n0.750000 0.829958 0.091891 Ga\n0.750000 0.403604 0.608959 Bi\n0.250000 0.596395 0.391041 Bi\n0.750000 0.843400 0.432117 S\n0.250000 0.139655 0.076864 S\n0.750000 0.860344 0.923135 S\n0.250000 0.358445 0.396645 S\n0.250000 0.960756 0.735290 S\n0.250000 0.156600 0.567883 S\n0.250000 0.733904 0.128584 S\n0.750000 0.641554 0.603355 S\n0.250000 0.508706 0.779415 S\n0.750000 0.039244 0.264709 S\n0.750000 0.266096 0.871416 S\n0.750000 0.491294 0.220584 S\n",
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{
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"structure_string": "Sr2 Bi4 Pd4\n1.0\n0.000000 4.982566 -0.015401\n4.834349 0.000000 0.000000\n0.000000 -0.387457 -10.842775\nSr Bi Pd\n2 4 4\ndirect\n0.735036 0.250000 0.237301 Sr\n0.264964 0.750000 0.762699 Sr\n0.799073 0.250000 0.880855 Bi\n0.200927 0.750000 0.119146 Bi\n0.751496 0.750000 0.496048 Bi\n0.248504 0.250000 0.503953 Bi\n0.753803 0.250000 0.630162 Pd\n0.246197 0.750000 0.369839 Pd\n0.316014 0.250000 0.000271 Pd\n0.683987 0.750000 -0.000271 Pd\n",
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"volume": 261.2037888405152,
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{
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"created_at": "2022-09-04T14:38:19.893932Z",
"updated_at": "2022-09-04T14:38:19.893947Z",
"structure_string": "Nb2 Mo2 Se6\n1.0\n3.420825 -0.000000 0.000000\n-0.000000 6.367978 1.699566\n0.000000 -0.056348 9.191587\nNb Mo Se\n2 2 6\ndirect\n0.250000 0.682146 0.002647 Nb\n0.749999 0.317854 0.997354 Nb\n0.250000 0.891504 0.621382 Mo\n0.749999 0.108496 0.378619 Mo\n0.250000 0.026387 0.165401 Se\n0.749999 0.973613 0.834600 Se\n0.250000 0.486001 0.791861 Se\n0.749999 0.513999 0.208140 Se\n0.250000 0.273930 0.514197 Se\n0.749999 0.726070 0.485804 Se\n",
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{
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"structure_string": "Mn2 O2 F2\n1.0\n3.735314 0.000019 -0.000176\n-0.000097 5.665158 -0.298840\n0.000158 -0.164064 3.219389\nMn O F\n2 2 2\ndirect\n0.250001 0.170919 0.726604 Mn\n0.749997 0.829084 0.273388 Mn\n0.249998 0.911685 0.265268 O\n0.750001 0.088314 0.734741 O\n0.250000 0.379022 0.229672 F\n0.749999 0.620979 0.770324 F\n",
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}
]
}