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{
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"structure_string": "Si38 O76\n1.0\n-3.287597 0.000000 12.100429\n0.000000 -14.094968 0.000000\n14.682986 7.047484 0.000000\nSi O\n38 76\ndirect\n0.167343 0.937385 0.095771 Si\n0.167343 0.158386 0.095771 Si\n0.832657 0.062615 0.904229 Si\n0.832657 0.841614 0.904229 Si\n0.921537 0.948603 0.118917 Si\n0.921537 0.170313 0.118917 Si\n0.078463 0.051397 0.881083 Si\n0.078463 0.829687 0.881083 Si\n0.756669 0.908286 0.407342 Si\n0.756669 0.499057 0.407342 Si\n0.243331 0.091714 0.592658 Si\n0.243331 0.500943 0.592658 Si\n0.501417 0.904621 0.397885 Si\n0.501417 0.493264 0.397885 Si\n0.498583 0.095379 0.602115 Si\n0.498583 0.506736 0.602115 Si\n0.142684 0.898141 0.386098 Si\n0.142684 0.487957 0.386098 Si\n0.857316 0.101859 0.613902 Si\n0.857316 0.512043 0.613902 Si\n0.916294 0.959146 0.309091 Si\n0.916294 0.349945 0.309091 Si\n0.083706 0.040854 0.690909 Si\n0.083706 0.650055 0.690909 Si\n0.291976 0.943700 0.277288 Si\n0.291976 0.333588 0.277288 Si\n0.708024 0.056300 0.722712 Si\n0.708024 0.666412 0.722712 Si\n0.215008 0.733664 0.467328 Si\n0.784992 0.266336 0.532672 Si\n0.172674 0.274245 0.548489 Si\n0.827326 0.725755 0.451511 Si\n0.307258 0.195466 0.390932 Si\n0.692742 0.804534 0.609068 Si\n0.539720 0.271921 0.543841 Si\n0.460280 0.728079 0.456159 Si\n0.944057 0.207147 0.414294 Si\n0.055943 0.792853 0.585706 Si\n0.259902 0.902440 0.163160 O\n0.259902 0.260720 0.163160 O\n0.740098 0.097560 0.836840 O\n0.740098 0.739280 0.836840 O\n0.159847 0.859490 0.985429 O\n0.159847 0.125939 0.985429 O\n0.840153 0.140510 0.014571 O\n0.840153 0.874061 0.014571 O\n0.202932 0.059827 0.119655 O\n0.797068 0.940173 0.880345 O\n0.049007 0.927707 0.117984 O\n0.049007 0.190277 0.117984 O\n0.950993 0.072293 0.882016 O\n0.950993 0.809723 0.882016 O\n0.888862 0.916037 0.194953 O\n0.888862 0.278915 0.194953 O\n0.111138 0.083963 0.805047 O\n0.111138 0.721085 0.805047 O\n0.908166 0.073621 0.147242 O\n0.091834 0.926379 0.852758 O\n0.178057 0.783071 0.566142 O\n0.821943 0.216929 0.433858 O\n0.164540 0.796210 0.406360 O\n0.164540 0.610150 0.406360 O\n0.835460 0.203790 0.593640 O\n0.835460 0.389850 0.593640 O\n0.349274 0.746879 0.493757 O\n0.650726 0.253121 0.506243 O\n0.214683 0.400219 0.611223 O\n0.214683 0.211004 0.611223 O\n0.785317 0.599781 0.388777 O\n0.785317 0.788996 0.388777 O\n0.222136 0.228314 0.456629 O\n0.777864 0.771686 0.543371 O\n0.038281 0.257284 0.514567 O\n0.961719 0.742716 0.485433 O\n0.435600 0.225434 0.450868 O\n0.564400 0.774566 0.549132 O\n0.283070 0.256590 0.326122 O\n0.283070 0.069532 0.326122 O\n0.716929 0.743410 0.673878 O\n0.716929 0.930468 0.673878 O\n0.534897 0.397566 0.606837 O\n0.534897 0.209270 0.606837 O\n0.465103 0.602434 0.393163 O\n0.465103 0.790730 0.393163 O\n0.805018 0.941526 0.338006 O\n0.805018 0.396479 0.338006 O\n0.194982 0.058474 0.661994 O\n0.194982 0.603521 0.661994 O\n0.809889 0.991199 0.518246 O\n0.809889 0.527048 0.518246 O\n0.190111 0.008801 0.481754 O\n0.190111 0.472952 0.481754 O\n0.623596 0.908961 0.382076 O\n0.623596 0.473115 0.382076 O\n0.376404 0.091039 0.617924 O\n0.376404 0.526885 0.617924 O\n0.415939 0.918512 0.312731 O\n0.415939 0.394219 0.312731 O\n0.584061 0.081488 0.687269 O\n0.584061 0.605781 0.687269 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.202999 0.886793 0.304898 O\n0.202999 0.418105 0.304898 O\n0.797001 0.113207 0.695102 O\n0.797001 0.581895 0.695102 O\n0.010454 0.897056 0.346627 O\n0.010454 0.449571 0.346627 O\n0.989546 0.102944 0.653373 O\n0.989546 0.550429 0.653373 O\n0.960695 0.084162 0.355791 O\n0.960695 0.271629 0.355791 O\n0.039305 0.915838 0.644209 O\n0.039305 0.728371 0.644209 O\n",
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"formula_full": "Si38 O76",
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{
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"created_at": "2022-09-04T14:40:24.611792Z",
"structure_string": "Rb1 Cu4 S3\n1.0\n3.912039 0.000000 0.000000\n0.000000 3.912039 0.000000\n0.000000 0.000000 9.482225\nRb Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.157463 Cu\n0.000000 0.500000 0.842537 Cu\n0.500000 0.000000 0.157463 Cu\n0.500000 0.000000 0.842537 Cu\n0.500000 0.500000 0.285804 S\n0.500000 0.500000 0.714196 S\n0.000000 0.000000 0.000000 S\n",
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{
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"structure_string": "Ca5 Yb3 Ti5 Mn3 O24\n1.0\n5.345029 0.000000 0.000000\n0.003782 5.450359 0.000000\n0.008440 0.036492 15.188233\nCa Yb Ti Mn O\n5 3 5 3 24\ndirect\n0.986112 0.040965 0.379628 Ca\n0.988944 0.046343 0.869691 Ca\n0.508735 0.543784 0.379964 Ca\n0.486847 0.457218 0.123490 Ca\n0.011590 0.957237 0.124061 Ca\n0.512521 0.550635 0.869368 Yb\n0.490890 0.446415 0.626970 Yb\n0.012846 0.948537 0.626722 Yb\n0.997585 0.501400 0.996416 Ti\n0.994631 0.499630 0.250856 Ti\n0.998460 0.496389 0.503500 Ti\n0.496890 0.999010 0.251634 Ti\n0.500817 0.001588 0.997063 Ti\n0.999020 0.499885 0.749058 Mn\n0.496442 0.997495 0.747343 Mn\n0.496483 0.996706 0.504225 Mn\n0.920474 0.521424 0.123880 O\n0.921706 0.517770 0.627866 O\n0.791983 0.791271 0.272621 O\n0.785486 0.787658 0.483790 O\n0.789674 0.786152 0.770215 O\n0.789736 0.790757 0.975187 O\n0.708845 0.290314 0.770139 O\n0.709473 0.291685 0.272716 O\n0.708953 0.283949 0.484090 O\n0.707008 0.294595 0.975155 O\n0.580458 0.021223 0.124032 O\n0.589967 0.021755 0.626114 O\n0.421898 0.980254 0.870058 O\n0.420652 0.981690 0.379326 O\n0.291943 0.711623 0.017063 O\n0.291763 0.712255 0.229916 O\n0.290862 0.714760 0.525508 O\n0.291943 0.710437 0.725563 O\n0.208716 0.211528 0.018187 O\n0.210120 0.211511 0.229469 O\n0.216067 0.209405 0.525846 O\n0.212281 0.211274 0.724510 O\n0.077537 0.480670 0.378022 O\n0.083642 0.482803 0.870737 O\n",
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"formula_full": "Ca5 Yb3 Ti5 Mn3 O24",
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{
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"structure_string": "Gd2 Ni1 O4\n1.0\n-1.920420 1.920420 6.003671\n1.920420 -1.920420 6.003671\n1.920420 1.920420 -6.003671\nGd Ni O\n2 1 4\ndirect\n0.364137 0.364137 0.000000 Gd\n0.635863 0.635863 0.000000 Gd\n0.000000 0.000000 0.000000 Ni\n0.181251 0.181251 0.000000 O\n0.818749 0.818749 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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{
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{
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"structure_string": "Li6 Co4 O10\n1.0\n2.937114 0.000000 0.000000\n-0.324100 5.920711 0.000000\n-1.278982 -1.371442 10.252045\nLi Co O\n6 4 10\ndirect\n0.904326 0.208229 0.806945 Li\n0.500000 0.000000 0.000000 Li\n0.303078 0.402180 0.603998 Li\n0.696922 0.597820 0.396002 Li\n0.095674 0.791771 0.193055 Li\n0.500000 0.500000 0.000000 Li\n0.905982 0.695807 0.811690 Co\n0.094018 0.304193 0.188310 Co\n0.692814 0.097285 0.395833 Co\n0.307186 0.902715 0.604167 Co\n0.375274 0.931968 0.798578 O\n0.990328 0.746993 0.982277 O\n0.790238 0.134022 0.596494 O\n0.182159 0.331442 0.385926 O\n0.570198 0.530387 0.200344 O\n0.429802 0.469613 0.799656 O\n0.009672 0.253007 0.017723 O\n0.817841 0.668558 0.614074 O\n0.209762 0.865978 0.403506 O\n0.624726 0.068032 0.201422 O\n",
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