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{
"id": "jvasp-13139",
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"structure_string": "Tl4 Te2 I12\n1.0\n0.000000 7.775139 -0.017100\n8.316333 0.000000 0.000000\n0.000000 -7.649410 -11.349028\nTl Te I\n4 2 12\ndirect\n0.287839 0.908314 0.754204 Tl\n0.712161 0.408315 0.745797 Tl\n0.712161 0.091685 0.245797 Tl\n0.287839 0.591685 0.254204 Tl\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.500000 Te\n0.639949 0.196548 0.955218 I\n0.360052 0.696548 0.544782 I\n0.163253 0.504043 0.755676 I\n0.836747 0.004043 0.744324 I\n0.836747 0.495957 0.244324 I\n0.770229 0.807097 0.461354 I\n0.229772 0.307098 0.038646 I\n0.639949 0.303452 0.455218 I\n0.770229 0.692902 0.961354 I\n0.229772 0.192902 0.538646 I\n0.163253 0.995956 0.255676 I\n0.360051 0.803451 0.044782 I\n",
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{
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"structure_string": "Sm4 Cu4 S8\n1.0\n0.000000 6.440344 0.007069\n7.131200 0.000000 0.000000\n0.000000 -0.891927 -6.778079\nSm Cu S\n4 4 8\ndirect\n0.808178 0.951038 0.199117 Sm\n0.191821 0.451038 0.300883 Sm\n0.191821 0.048962 0.800883 Sm\n0.808178 0.548962 0.699117 Sm\n0.422864 0.661757 0.949755 Cu\n0.577135 0.338243 0.050245 Cu\n0.577134 0.161757 0.550245 Cu\n0.422865 0.838243 0.449755 Cu\n0.079521 0.726042 0.999393 S\n0.920478 0.226042 0.500607 S\n0.920478 0.273958 0.000607 S\n0.079521 0.773958 0.499393 S\n0.406800 0.113151 0.218815 S\n0.406799 0.386849 0.718815 S\n0.593199 0.886849 0.781185 S\n0.593200 0.613151 0.281185 S\n",
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{
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"created_at": "2022-09-04T14:37:07.683224Z",
"updated_at": "2022-09-04T14:37:07.683249Z",
"structure_string": "Sm4 Cu4 Se8\n1.0\n0.000000 6.665754 0.009281\n7.427695 0.000000 0.000000\n0.000000 -0.795561 -7.120023\nSm Cu Se\n4 4 8\ndirect\n0.306029 0.544033 0.700630 Sm\n0.693971 0.044033 0.799369 Sm\n0.693971 0.455967 0.299369 Sm\n0.306029 0.955968 0.200631 Sm\n0.930182 0.839781 0.455279 Cu\n0.069817 0.160220 0.544721 Cu\n0.930182 0.660220 0.955279 Cu\n0.069817 0.339780 0.044721 Cu\n0.576608 0.724192 0.998700 Se\n0.576607 0.775809 0.498700 Se\n0.423392 0.224191 0.501300 Se\n0.423392 0.275809 0.001300 Se\n0.100987 0.610585 0.282522 Se\n0.899012 0.110584 0.217478 Se\n0.899012 0.389416 0.717478 Se\n0.100987 0.889416 0.782522 Se\n",
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{
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"structure_string": "Ru2 F8\n1.0\n5.511166 0.000135 0.062298\n0.000120 4.958212 -0.000055\n-2.711004 -0.000118 4.584355\nRu F\n2 8\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500001 0.499998 0.500000 Ru\n0.126563 0.665045 0.236754 F\n0.625929 0.638155 0.260375 F\n0.874071 0.138178 0.239638 F\n0.373447 0.165027 0.263239 F\n0.626551 0.834970 0.736758 F\n0.125929 0.861819 0.760357 F\n0.374073 0.361843 0.739625 F\n0.873439 0.334956 0.763246 F\n",
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{
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"structure_string": "Bi4 P4 O16\n1.0\n0.000000 6.627001 -0.088402\n6.763876 0.000000 0.000000\n0.000000 -5.102907 -7.094867\nBi P O\n4 4 16\ndirect\n0.702105 0.615600 0.263461 Bi\n0.297895 0.115599 0.236539 Bi\n0.297894 0.384401 0.736539 Bi\n0.702105 0.884401 0.763462 Bi\n0.095152 0.637647 0.221916 P\n0.904847 0.137647 0.278084 P\n0.904847 0.362353 0.778084 P\n0.095152 0.862354 0.721916 P\n0.949014 0.179039 0.904879 O\n0.050985 0.679039 0.595121 O\n0.230185 0.469557 0.195072 O\n0.769815 0.969557 0.304928 O\n0.769815 0.530444 0.804928 O\n0.230185 0.030443 0.695072 O\n0.515130 0.812226 0.438695 O\n0.298659 0.775185 0.934260 O\n0.484869 0.187774 0.561305 O\n0.515130 0.687775 0.938695 O\n0.949014 0.320961 0.404879 O\n0.701340 0.275184 0.565741 O\n0.701340 0.224816 0.065740 O\n0.298659 0.724816 0.434260 O\n0.484869 0.312226 0.061305 O\n0.050985 0.820962 0.095121 O\n",
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{
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"created_at": "2022-09-04T14:37:07.703789Z",
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"structure_string": "Zn4 Bi2 W2 O12\n1.0\n0.000000 5.485251 -0.100533\n5.520271 0.000000 0.000000\n0.000000 -5.114766 -8.131348\nZn Bi W O\n4 2 2 12\ndirect\n0.288443 0.988251 0.256532 Zn\n0.711556 0.488251 0.243468 Zn\n0.711556 0.011749 0.743468 Zn\n0.288443 0.511749 0.756532 Zn\n0.500000 0.000000 -0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.666402 0.133552 0.285757 O\n0.333597 0.633552 0.214243 O\n0.739853 0.633470 0.059411 O\n0.260146 0.133470 0.440589 O\n0.260145 0.366530 0.940589 O\n0.980469 0.196923 0.096061 O\n0.019530 0.803077 0.903939 O\n0.980469 0.303077 0.596061 O\n0.333597 0.866448 0.714243 O\n0.019530 0.696922 0.403939 O\n0.739853 0.866530 0.559411 O\n0.666402 0.366448 0.785757 O\n",
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{
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"structure_string": "Li4 Be4 N4\n1.0\n0.000000 4.516944 0.034140\n4.733558 0.000000 0.000000\n0.000000 -3.329326 -4.773435\nLi Be N\n4 4 4\ndirect\n0.675808 0.457012 0.911861 Li\n0.324189 0.957012 0.588137 Li\n0.324190 0.542989 0.088138 Li\n0.675808 0.042988 0.411862 Li\n0.916551 0.606344 0.606579 Be\n0.083446 0.106344 0.893420 Be\n0.083446 0.393656 0.393420 Be\n0.916552 0.893657 0.106579 Be\n0.846760 0.802774 0.800697 N\n0.153236 0.302774 0.699302 N\n0.153237 0.197226 0.199302 N\n0.846761 0.697227 0.300697 N\n",
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{
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"structure_string": "Fe8 O4 F12\n1.0\n0.000000 5.680985 -0.075387\n4.685846 0.000000 0.000000\n0.000000 -1.213109 -10.511926\nFe O F\n8 4 12\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.256468 0.469990 0.272258 Fe\n0.743532 0.530011 0.727743 Fe\n0.256468 0.030011 0.772258 Fe\n0.500000 0.000000 0.500000 Fe\n0.743532 0.969990 0.227742 Fe\n0.000000 0.000000 0.000000 Fe\n0.270651 0.291771 0.433353 O\n0.270651 0.208230 0.933353 O\n0.729350 0.791771 0.066647 O\n0.729349 0.708230 0.566648 O\n0.519708 0.202100 0.678983 F\n0.480293 0.797901 0.321018 F\n0.230971 0.796986 0.590172 F\n0.984246 0.782460 0.826582 F\n0.480293 0.702100 0.821018 F\n0.230971 0.703015 0.090172 F\n0.984246 0.717541 0.326582 F\n0.769029 0.296986 0.909829 F\n0.519708 0.297900 0.178983 F\n0.015755 0.282460 0.673419 F\n0.015755 0.217541 0.173418 F\n0.769030 0.203015 0.409828 F\n",
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"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.183653 -0.056217\n7.998706 0.000000 0.000000\n0.000000 -5.996697 -13.331781\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.661761 0.617332 0.744187 Ca\n0.338238 0.117332 0.755813 Ca\n0.661761 0.882668 0.244187 Ca\n0.338238 0.382668 0.255813 Ca\n0.922230 0.556499 0.251801 I\n0.077769 0.056498 0.248199 I\n0.536419 0.682489 0.400559 I\n0.700548 0.156064 0.406587 I\n0.299452 0.843937 0.593413 I\n0.077769 0.443502 0.748199 I\n0.922230 0.943502 0.751801 I\n0.463580 0.182489 0.099441 I\n0.536419 0.817512 0.900559 I\n0.700547 0.343937 0.906587 I\n0.463580 0.317511 0.599441 I\n0.299452 0.656064 0.093413 I\n",
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{
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"created_at": "2022-09-04T14:37:07.891497Z",
"updated_at": "2022-09-04T14:37:07.891532Z",
"structure_string": "P4 Pb4 S12\n1.0\n0.000000 6.720858 -0.005319\n7.481925 0.000000 0.000000\n0.000000 -6.419616 -9.417320\nP Pb S\n4 4 12\ndirect\n0.875590 0.139178 0.713012 P\n0.875591 0.860822 0.213012 P\n0.132886 0.360813 0.844749 P\n0.132887 0.639188 0.344749 P\n0.788231 0.634975 0.526391 Pb\n0.220258 0.134993 0.531367 Pb\n0.220258 0.865008 0.031367 Pb\n0.788231 0.365026 0.026391 Pb\n0.099385 0.053484 0.221162 S\n0.371226 0.255799 0.040461 S\n0.725046 0.946247 0.317003 S\n0.099384 0.946517 0.721162 S\n0.637256 0.755815 0.017295 S\n0.909093 0.553468 0.836600 S\n0.725045 0.053753 0.817003 S\n0.909093 0.446532 0.336599 S\n0.371226 0.744202 0.540461 S\n0.283428 0.553744 0.240760 S\n0.637256 0.244186 0.517295 S\n0.283428 0.446257 0.740760 S\n",
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{
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"updated_at": "2022-09-04T14:37:07.970087Z",
"structure_string": "Na12 B4 O12\n1.0\n5.686726 0.000000 -0.258605\n0.000000 7.457900 0.000000\n-0.012613 0.000000 8.021148\nNa B O\n12 4 12\ndirect\n0.376074 0.220175 0.776294 Na\n0.123927 0.720175 0.723707 Na\n0.623927 0.779825 0.223707 Na\n0.876074 0.279825 0.276294 Na\n0.253290 0.473946 0.045138 Na\n0.246710 0.973946 0.454863 Na\n0.746711 0.526054 0.954863 Na\n0.753291 0.026054 0.545138 Na\n0.116159 0.849478 0.070380 Na\n0.383841 0.349478 0.429620 Na\n0.883842 0.150522 0.929621 Na\n0.616160 0.650522 0.570381 Na\n0.933519 0.339927 0.653624 B\n0.566483 0.839927 0.846377 B\n0.066482 0.660073 0.346377 B\n0.433519 0.160073 0.153624 B\n0.189012 0.146784 0.129952 O\n0.310989 0.646784 0.370048 O\n0.810989 0.853216 0.870048 O\n0.689012 0.353216 0.629953 O\n0.561784 0.266444 0.046996 O\n0.938217 0.766444 0.453005 O\n0.438217 0.733556 0.953005 O\n0.061784 0.233556 0.546995 O\n0.546534 0.082700 0.293900 O\n0.953467 0.582700 0.206101 O\n0.453467 0.917300 0.706101 O\n0.046534 0.417300 0.793899 O\n",
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]
}