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{
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"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
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{
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{
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"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.822602 -0.148801 0.834201\n0.949118 6.494256 0.618247\n-0.281122 0.077714 6.585845\nMg Ti Si O\n2 2 4 12\ndirect\n0.750000 0.275612 0.724388 Mg\n0.250001 0.724388 0.275614 Mg\n0.249999 0.069927 0.930074 Ti\n0.749999 0.930075 0.069927 Ti\n0.287894 0.209979 0.402044 Si\n0.212105 0.597956 0.790022 Si\n0.787894 0.402044 0.209979 Si\n0.712106 0.790021 0.597957 Si\n0.648066 0.966588 0.760664 O\n0.851934 0.239336 0.033412 O\n0.631347 0.623672 0.146847 O\n0.868652 0.853155 0.376329 O\n0.368653 0.376327 0.853154 O\n-0.092718 0.582829 0.700665 O\n0.092718 0.417171 0.299336 O\n0.407283 0.700664 0.582831 O\n0.351933 0.033412 0.239337 O\n0.592718 0.299337 0.417170 O\n0.131348 0.146845 0.623672 O\n0.148067 0.760664 0.966589 O\n",
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{
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"created_at": "2022-09-04T14:37:29.028216Z",
"updated_at": "2022-09-04T14:37:29.028242Z",
"structure_string": "Li2 V2 H4 O2 F10\n1.0\n5.581600 0.120319 -0.016920\n-2.007528 5.209470 0.016919\n-0.608753 0.408221 7.650482\nLi V H O F\n2 2 4 2 10\ndirect\n0.260119 0.711756 0.494524 Li\n0.711756 0.260119 0.005476 Li\n0.237769 0.237769 0.250000 V\n0.764922 0.764922 0.750000 V\n0.122355 0.205412 0.839773 H\n0.205412 0.122355 0.660227 H\n0.799454 0.874245 0.343535 H\n0.874245 0.799454 0.156465 H\n0.923844 0.923845 0.250000 O\n0.077894 0.077894 0.750000 O\n0.844252 0.641566 0.976621 F\n0.077133 0.417667 0.365352 F\n0.088987 0.315010 0.036038 F\n0.630771 0.978217 0.846129 F\n0.481341 0.481341 0.750000 F\n0.315011 0.088987 0.463962 F\n0.641566 0.844251 0.523379 F\n0.516808 0.516808 0.250000 F\n0.417667 0.077133 0.134648 F\n0.978217 0.630771 0.653871 F\n",
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{
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"structure_string": "Li4 Fe4 F12\n1.0\n5.259435 0.000000 0.000000\n-0.000000 5.221685 0.000000\n0.000000 0.000000 7.796842\nLi Fe F\n4 4 12\ndirect\n0.979078 0.979312 0.250000 Li\n0.520923 0.479313 0.750000 Li\n0.479078 0.520686 0.250000 Li\n0.020923 0.020687 0.750000 Li\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.168843 0.157543 0.076212 F\n0.331158 0.657543 0.923788 F\n0.331158 0.657543 0.576211 F\n0.384845 0.135791 0.750000 F\n0.615156 0.864209 0.250000 F\n0.831158 0.842456 0.923788 F\n0.668843 0.342456 0.076212 F\n0.831158 0.842456 0.576211 F\n0.168843 0.157543 0.423788 F\n0.884846 0.364209 0.750000 F\n0.668843 0.342456 0.423788 F\n0.115155 0.635790 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:37:15.500174Z",
"updated_at": "2022-09-04T14:37:15.500196Z",
"structure_string": "H12 N4 O4\n1.0\n0.000000 4.387995 -0.044103\n4.035020 0.000000 0.000000\n0.000000 -0.079941 -7.897353\nH N O\n12 4 4\ndirect\n0.190266 0.344288 0.338996 H\n0.690259 0.134763 0.160987 H\n0.269019 0.742259 0.282936 H\n0.309740 0.634764 0.839012 H\n0.730980 0.242259 0.717063 H\n0.805756 0.838364 0.007959 H\n0.194243 0.338364 -0.007959 H\n0.305782 0.640676 0.492031 H\n0.809733 0.844288 0.661003 H\n0.769002 0.736779 0.217058 H\n0.694217 0.140676 0.507968 H\n0.230997 0.236779 0.782941 H\n0.330857 0.545261 0.368566 N\n0.669142 0.045261 0.631433 N\n0.169166 0.433775 0.868572 N\n0.830833 0.933775 0.131427 N\n0.860718 0.532669 0.841161 O\n0.639290 0.446356 0.341165 O\n0.360709 0.946356 0.658835 O\n0.139282 0.032669 0.158839 O\n",
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{
"id": "jvasp-21223",
"created_at": "2022-09-04T14:37:06.468109Z",
"updated_at": "2022-09-04T14:37:06.468127Z",
"structure_string": "Li8 Se2 O10\n1.0\n5.207365 0.008974 0.645075\n2.038969 4.791589 0.645075\n0.021893 0.014503 7.848700\nLi Se O\n8 2 10\ndirect\n0.363811 0.032883 0.353544 Li\n0.967116 0.636188 0.146455 Li\n0.566093 0.223656 0.943504 Li\n0.776343 0.433905 0.556495 Li\n0.433906 0.776343 0.056495 Li\n0.223656 0.566093 0.443504 Li\n0.636189 0.967116 0.646455 Li\n0.032883 0.363810 0.853544 Li\n0.828673 0.171326 0.249999 Se\n0.171326 0.828673 0.749999 Se\n0.866373 0.133625 0.750000 O\n0.133626 0.866374 0.249999 O\n0.414200 0.767159 0.571514 O\n0.232840 0.585799 0.928485 O\n0.585799 0.232839 0.428485 O\n0.767159 0.414200 0.071514 O\n0.348991 0.006881 0.841109 O\n0.993117 0.651008 0.658890 O\n0.006882 0.348991 0.341109 O\n0.651009 0.993117 0.158890 O\n",
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{
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"structure_string": "Bi8 O12\n1.0\n7.871271 0.000000 0.000000\n0.000000 7.871271 0.000000\n0.000000 -0.000000 5.617330\nBi O\n8 12\ndirect\n0.757687 0.478612 0.767936 Bi\n0.242312 0.521388 0.767936 Bi\n0.478612 0.242312 0.232064 Bi\n0.521388 0.757687 0.232064 Bi\n0.978612 0.257687 0.267936 Bi\n0.742312 0.978612 0.732064 Bi\n0.257687 0.021388 0.732064 Bi\n0.021388 0.742312 0.267936 Bi\n0.210892 0.187818 0.035512 O\n0.187818 0.789108 0.964488 O\n0.687818 0.710892 0.535512 O\n0.312182 0.289108 0.535512 O\n0.289108 0.687818 0.464488 O\n0.500000 0.000000 0.408096 O\n0.000000 0.500000 0.091904 O\n0.500000 0.000000 0.908096 O\n0.789108 0.812182 0.035512 O\n0.000000 0.500000 0.591904 O\n0.710892 0.312182 0.464488 O\n0.812182 0.210892 0.964488 O\n",
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{
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{
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"structure_string": "Mo2 H8 O10\n1.0\n-4.000005 -0.192870 -0.075362\n-0.325958 -6.743711 -0.742124\n0.190750 1.089654 7.868225\nMo H O\n2 8 10\ndirect\n0.997720 0.006394 0.238727 Mo\n0.946358 0.013554 0.737531 Mo\n0.175729 0.365318 0.847041 H\n0.741380 0.361930 0.352157 H\n0.137494 0.627223 0.102437 H\n0.890057 0.643178 0.588697 H\n0.716763 0.415531 0.638956 H\n0.545656 0.381653 0.093833 H\n0.613282 0.577553 0.037563 H\n0.411832 0.575300 0.584910 H\n0.002947 0.298198 0.762825 O\n0.001938 0.012388 0.954920 O\n0.958852 0.029303 0.459677 O\n0.441212 0.476771 0.024063 O\n0.628384 0.488726 0.549081 O\n0.429144 0.994720 0.221521 O\n0.514095 0.010060 0.710157 O\n0.929658 0.728405 0.134962 O\n0.836019 0.282562 0.237063 O\n0.082991 0.734705 0.632012 O\n",
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}