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{
"id": "jvasp-85266",
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"structure_string": "Cu6 Se6\n1.0\n3.971025 -0.000000 0.000000\n-1.985513 3.545002 -0.000000\n-0.000000 -0.000000 17.287433\nCu Se\n6 6\ndirect\n0.650957 0.301912 0.111164 Cu\n0.349045 0.698088 0.888836 Cu\n0.349045 0.698088 0.611164 Cu\n0.650957 0.301912 0.388836 Cu\n0.574407 0.148813 0.750000 Cu\n0.425594 0.851186 0.250000 Cu\n0.247765 0.495529 0.750000 Se\n0.752237 0.504471 0.250000 Se\n0.016080 0.032162 0.570183 Se\n0.983921 0.967838 0.070184 Se\n0.016080 0.032162 0.929816 Se\n0.983921 0.967838 0.429816 Se\n",
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"structure_string": "Al4 Sn4 O14\n1.0\n6.068935 -0.000000 3.503901\n2.022979 5.721847 3.503901\n-0.000000 -0.000000 7.007803\nAl Sn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.642913 0.107087 0.107087 O\n0.107087 0.107087 0.642913 O\n0.642913 0.642913 0.107086 O\n0.892914 0.357087 0.357086 O\n0.357087 0.892913 0.357086 O\n0.357087 0.357087 0.892912 O\n0.357087 0.892913 0.892912 O\n0.892914 0.357087 0.892912 O\n0.107087 0.642913 0.642912 O\n0.642913 0.107087 0.642912 O\n0.375000 0.375000 0.374999 O\n0.625000 0.625000 0.624999 O\n0.892914 0.892913 0.357086 O\n0.107087 0.642913 0.107087 O\n",
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{
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"structure_string": "Na2 C8 N6\n1.0\n-3.646891 -0.098110 0.012312\n1.389058 7.572363 0.032950\n-0.225934 -2.460914 -8.867219\nNa C N\n2 8 6\ndirect\n0.169148 0.843723 0.845070 Na\n0.830850 0.156277 0.154930 Na\n0.250053 0.818911 0.202487 C\n0.298000 0.706143 0.293264 C\n0.379673 0.532612 0.226672 C\n0.701998 0.293858 0.706737 C\n0.620325 0.467389 0.773328 C\n0.749945 0.181090 0.797513 C\n0.240059 0.760728 0.449543 C\n0.759939 0.239272 0.550458 C\n0.189877 0.803415 0.579101 N\n0.810121 0.196585 0.420899 N\n0.444872 0.386294 0.172389 N\n0.210944 0.913074 0.125509 N\n0.789054 0.086926 0.874491 N\n0.555127 0.613706 0.827611 N\n",
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{
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"updated_at": "2022-09-04T14:37:18.912189Z",
"structure_string": "Sn2 Ge4 O12\n1.0\n5.468944 0.036628 1.266072\n1.498783 6.588415 0.684033\n0.129992 -0.078997 6.789575\nSn Ge O\n2 4 12\ndirect\n0.749999 0.896564 0.103435 Sn\n0.250000 0.103435 0.896565 Sn\n0.735660 0.392239 0.216529 Ge\n0.764338 0.783470 0.607761 Ge\n0.264338 0.607760 0.783471 Ge\n0.235661 0.216529 0.392239 Ge\n0.638766 0.957448 0.815926 O\n0.861232 0.184075 0.042551 O\n0.679194 0.623717 0.080142 O\n0.820804 0.919857 0.376283 O\n0.320804 0.376283 0.919858 O\n0.528092 0.655325 0.601356 O\n-0.028093 0.398644 0.344675 O\n0.138766 0.815924 0.957449 O\n0.028093 0.601355 0.655326 O\n0.471906 0.344674 0.398644 O\n0.179195 0.080142 0.623718 O\n0.361233 0.042551 0.184075 O\n",
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{
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"updated_at": "2022-09-04T14:37:12.864999Z",
"structure_string": "Mo4 H4 O14\n1.0\n8.969751 0.000000 -2.073539\n0.000000 3.778309 0.000000\n0.028266 0.000000 7.173280\nMo H O\n4 4 14\ndirect\n0.968953 0.252955 0.187021 Mo\n0.031047 0.752955 0.812979 Mo\n0.436925 0.704923 0.167781 Mo\n0.563075 0.204923 0.832219 Mo\n0.712372 0.959020 0.322519 H\n0.287628 0.459020 0.677481 H\n0.280123 0.874316 0.394686 H\n0.719878 0.374316 0.605314 H\n0.258001 0.759900 0.018402 O\n0.741999 0.259899 0.981598 O\n0.533089 0.740651 0.890206 O\n0.466911 0.240651 0.109794 O\n0.849029 0.731776 0.690427 O\n0.150971 0.231776 0.309573 O\n0.873672 0.232276 0.366022 O\n0.962369 0.748190 0.103950 O\n0.126328 0.732276 0.633978 O\n0.377949 0.758851 0.393770 O\n0.360358 0.263873 0.711823 O\n0.639643 0.763873 0.288177 O\n0.037631 0.248189 0.896050 O\n0.622051 0.258851 0.606230 O\n",
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{
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"created_at": "2022-09-04T14:37:10.243297Z",
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"structure_string": "Yb1 U1 Te6\n1.0\n12.887333 0.008729 0.000000\n-12.147886 4.302589 0.000000\n-0.000000 0.000000 4.379798\nYb U Te\n1 1 6\ndirect\n0.171436 0.828564 0.500000 Yb\n0.830751 0.169249 -0.000000 U\n0.424533 0.575468 -0.000000 Te\n0.570788 0.429212 0.500000 Te\n0.709577 0.290423 -0.000000 Te\n0.299516 0.700484 0.500000 Te\n0.068870 0.931130 -0.000000 Te\n0.924530 0.075471 0.500000 Te\n",
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{
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"structure_string": "Y2 Er6\n1.0\n7.120891 -0.000000 0.000000\n-3.560445 6.166873 0.000000\n0.000000 -0.000000 5.540559\nY Er\n2 6\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.165797 0.331595 0.250000 Er\n0.668404 0.834202 0.250000 Er\n0.165797 0.834202 0.250000 Er\n0.834202 0.668405 0.750000 Er\n0.331595 0.165797 0.750000 Er\n0.834202 0.165797 0.750000 Er\n",
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"structure_string": "Cd2 Se4 O10\n1.0\n5.734951 -0.033095 -1.718202\n-2.748526 6.039298 -2.309215\n0.013501 0.025856 7.025606\nCd Se O\n2 4 10\ndirect\n0.250000 0.590746 0.409255 Cd\n0.750000 0.409256 0.590745 Cd\n0.889906 0.997666 0.713970 Se\n0.610094 0.286031 0.002336 Se\n0.110094 0.002336 0.286030 Se\n0.389906 0.713971 0.997665 Se\n0.750000 0.083997 0.916005 O\n0.250000 0.916004 0.083996 O\n0.689027 0.724026 0.594386 O\n0.810973 0.405615 0.275976 O\n0.310973 0.275976 0.405615 O\n0.189027 0.594387 0.724025 O\n0.273169 0.516638 0.074904 O\n0.226830 0.925097 0.483362 O\n0.726831 0.483364 0.925097 O\n0.773170 0.074905 0.516638 O\n",
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}