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{
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{
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{
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{
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"structure_string": "Co12 P16 O60\n1.0\n6.324228 0.000000 0.000000\n0.000000 10.581570 0.000000\n0.000000 0.000000 17.838469\nCo P O\n12 16 60\ndirect\n0.087358 0.503041 0.129078 Co\n0.107673 0.994055 0.161523 Co\n0.816179 0.256494 0.239036 Co\n0.316179 0.756494 0.260964 Co\n0.607673 0.494055 0.338477 Co\n0.587358 0.003041 0.370922 Co\n0.087358 0.996959 0.629078 Co\n0.107673 0.505945 0.661523 Co\n0.816179 0.243506 0.739036 Co\n0.316179 0.743506 0.760964 Co\n0.607673 0.005945 0.838477 Co\n0.587358 0.496959 0.870922 Co\n0.143913 0.770785 0.050221 P\n0.962661 0.233793 0.072572 P\n0.588515 0.520873 0.181745 P\n0.602182 0.996546 0.209782 P\n0.102182 0.496546 0.290218 P\n0.088515 0.020873 0.318255 P\n0.462661 0.733793 0.427428 P\n0.643913 0.270785 0.449779 P\n0.143913 0.729215 0.550221 P\n0.962661 0.266207 0.572572 P\n0.588515 0.979127 0.681745 P\n0.602182 0.503454 0.709782 P\n0.102182 0.003454 0.790218 P\n0.088515 0.479127 0.818255 P\n0.462661 0.766207 0.927428 P\n0.643913 0.229215 0.949779 P\n0.971236 0.842457 0.009430 O\n0.366602 0.796455 0.008315 O\n0.104247 0.628146 0.047471 O\n0.082238 0.358190 0.063037 O\n0.103856 0.118828 0.088500 O\n0.785491 0.242348 0.131869 O\n0.394593 0.498568 0.132590 O\n0.182762 0.818005 0.130685 O\n0.789156 0.541104 0.135248 O\n0.414862 0.018893 0.159231 O\n0.798647 0.965893 0.164170 O\n0.620941 0.404369 0.236914 O\n0.554461 0.629677 0.240619 O\n0.052004 0.390188 0.229868 O\n0.132878 0.616329 0.236741 O\n0.632878 0.116329 0.263259 O\n0.552004 0.890188 0.270132 O\n0.054461 0.129677 0.259381 O\n0.120941 0.904369 0.263086 O\n0.298647 0.465893 0.335830 O\n0.914862 0.518893 0.340769 O\n0.289156 0.041104 0.364752 O\n0.682762 0.318005 0.369315 O\n0.894593 0.998568 0.367410 O\n0.285491 0.742348 0.368131 O\n0.603856 0.618828 0.411500 O\n0.582238 0.858190 0.436963 O\n0.604247 0.128146 0.452529 O\n0.866602 0.296455 0.491685 O\n0.471236 0.342457 0.490570 O\n0.971236 0.657543 0.509430 O\n0.366602 0.703545 0.508315 O\n0.104247 0.871854 0.547471 O\n0.082238 0.141810 0.563037 O\n0.103856 0.381172 0.588500 O\n0.785491 0.257652 0.631869 O\n0.394593 0.001432 0.632590 O\n0.182762 0.681995 0.630685 O\n0.789156 0.958896 0.635248 O\n0.414862 0.481107 0.659231 O\n0.798647 0.534107 0.664170 O\n0.620941 0.095631 0.736914 O\n0.554461 0.870323 0.740619 O\n0.052004 0.109812 0.729868 O\n0.132878 0.883671 0.736741 O\n0.632878 0.383671 0.763259 O\n0.552004 0.609812 0.770132 O\n0.054461 0.370323 0.759381 O\n0.120941 0.595631 0.763086 O\n0.298647 0.034107 0.835830 O\n0.914862 0.981107 0.840769 O\n0.289156 0.458896 0.864752 O\n0.682762 0.181995 0.869315 O\n0.894593 0.501432 0.867410 O\n0.285491 0.757652 0.868131 O\n0.603856 0.881172 0.911500 O\n0.582238 0.641810 0.936963 O\n0.604247 0.371854 0.952529 O\n0.866602 0.203545 0.991685 O\n0.471236 0.157543 0.990570 O\n",
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"formula_full": "Co12 P16 O60",
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{
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"structure_string": "Cs8 Mn8 In8 Te24\n1.0\n6.392363 6.391133 0.000000\n-6.392363 6.391133 0.000000\n0.000000 3.201708 24.217095\nCs Mn In Te\n8 8 8 24\ndirect\n0.769465 0.394354 0.421561 Cs\n0.605646 0.230535 0.078439 Cs\n0.230535 0.605646 0.578439 Cs\n0.394354 0.769465 0.921561 Cs\n0.105033 0.230206 0.078440 Cs\n0.769794 0.894967 0.421560 Cs\n0.894967 0.769794 0.921560 Cs\n0.230206 0.105033 0.578440 Cs\n0.064175 0.935825 0.250000 Mn\n0.935825 0.064175 0.750000 Mn\n0.064255 0.439129 0.250041 Mn\n0.560871 0.935745 0.249959 Mn\n0.935745 0.560871 0.749959 Mn\n0.439129 0.064255 0.750041 Mn\n0.560543 0.439457 0.250000 Mn\n0.439457 0.560543 0.750000 Mn\n0.843805 0.718888 0.124022 In\n0.281112 0.156195 0.375978 In\n0.156195 0.281112 0.875978 In\n0.718888 0.843805 0.624022 In\n0.280797 0.656362 0.375747 In\n0.343638 0.719203 0.124253 In\n0.719203 0.343638 0.624253 In\n0.656362 0.280797 0.875747 In\n0.263316 0.388225 0.447195 Te\n0.611775 0.736684 0.052805 Te\n0.736684 0.611775 0.552805 Te\n0.388225 0.263316 0.947195 Te\n0.111575 0.737028 0.052779 Te\n0.262972 0.888425 0.447221 Te\n0.888425 0.262972 0.947221 Te\n0.737028 0.111575 0.552779 Te\n0.328694 0.437137 0.185192 Te\n0.562863 0.671306 0.314808 Te\n0.671306 0.562863 0.814808 Te\n0.437137 0.328694 0.685192 Te\n0.030455 0.171477 0.314170 Te\n0.828523 0.969545 0.185830 Te\n0.969545 0.828523 0.685830 Te\n0.171477 0.030455 0.814170 Te\n0.030146 0.671313 0.314543 Te\n0.328687 0.969854 0.185457 Te\n0.969854 0.328687 0.685457 Te\n0.671313 0.030146 0.814543 Te\n0.828365 0.438165 0.186105 Te\n0.561835 0.171635 0.313895 Te\n0.171635 0.561835 0.813895 Te\n0.438165 0.828365 0.686105 Te\n",
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{
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"structure_string": "Li12 Mo12 P12 O68\n1.0\n8.422752 0.000000 0.000000\n1.521217 12.076526 0.000000\n0.040172 0.038237 12.982680\nLi Mo P O\n12 12 12 68\ndirect\n0.361343 0.865243 0.623838 Li\n0.638657 0.134757 0.376162 Li\n0.216858 0.309063 0.568527 Li\n0.646768 0.794274 0.253451 Li\n0.856464 0.206435 0.754604 Li\n0.287007 0.692299 0.068246 Li\n0.864450 0.866614 0.872853 Li\n0.135550 0.133386 0.127147 Li\n0.783142 0.690937 0.431473 Li\n0.712993 0.307701 0.931754 Li\n0.353232 0.205726 0.746549 Li\n0.143536 0.793565 0.245396 Li\n0.847771 0.606109 0.871581 Mo\n0.811333 0.479649 0.617922 Mo\n0.654599 0.395965 0.370233 Mo\n0.254159 0.013490 0.385020 Mo\n0.152229 0.393891 0.128419 Mo\n0.247535 0.985158 0.884897 Mo\n0.314941 0.477599 0.880707 Mo\n0.685059 0.522401 0.119293 Mo\n0.345401 0.604035 0.629767 Mo\n0.188667 0.520351 0.382078 Mo\n0.745841 0.986510 0.614980 Mo\n0.752465 0.014842 0.115103 Mo\n0.060522 0.273605 0.349775 P\n0.560146 0.273076 0.155390 P\n0.144091 0.054161 0.638203 P\n0.855909 0.945839 0.361797 P\n0.439854 0.726924 0.844610 P\n0.099903 0.263880 0.907096 P\n0.597093 0.266461 0.595187 P\n0.356027 0.945576 0.138560 P\n0.643973 0.054424 0.861440 P\n0.402907 0.733539 0.404813 P\n0.939478 0.726395 0.650225 P\n0.900097 0.736120 0.092904 P\n0.450942 0.450228 0.365018 O\n0.163583 0.353804 0.407184 O\n0.569357 0.692069 0.367354 O\n0.872344 0.735880 0.973452 O\n0.950570 0.449194 0.111782 O\n0.926898 0.073711 0.096349 O\n0.267639 0.023961 0.223904 O\n0.802222 0.831406 0.359722 O\n0.894107 0.842597 0.605050 O\n0.722611 0.477357 0.476182 O\n0.620124 0.697082 0.846844 O\n0.272282 0.669643 0.352854 O\n0.931101 0.306024 0.875362 O\n0.105893 0.157403 0.394950 O\n0.884372 0.307892 0.372033 O\n0.805149 0.516883 0.765011 O\n0.511100 0.417929 0.881454 O\n0.386065 0.729085 0.525111 O\n0.856426 0.856287 0.132203 O\n0.430643 0.307931 0.632646 O\n0.201447 0.986067 0.538359 O\n0.723732 0.477375 0.263730 O\n0.642311 0.144870 0.630334 O\n0.068899 0.693976 0.124638 O\n0.488900 0.582071 0.118546 O\n0.603613 0.159423 0.104479 O\n0.378813 0.732651 0.730907 O\n0.352528 0.641729 0.908616 O\n0.127656 0.264120 0.026548 O\n0.379876 0.302918 0.153156 O\n0.049430 0.550806 0.888218 O\n0.143574 0.143713 0.867797 O\n0.727718 0.330357 0.647146 O\n0.073102 0.926289 0.903651 O\n0.428322 0.072637 0.402627 O\n0.539870 0.937727 0.153482 O\n0.700837 0.987623 0.961970 O\n0.277389 0.522643 0.523818 O\n0.621187 0.267349 0.269093 O\n0.904519 0.728319 0.768365 O\n0.748490 0.534308 0.972669 O\n0.571678 0.927363 0.597373 O\n0.960074 0.062639 0.653211 O\n0.095481 0.271681 0.231635 O\n0.549058 0.549772 0.634982 O\n0.460130 0.062273 0.846518 O\n0.299163 0.012377 0.038030 O\n0.197778 0.168594 0.640278 O\n0.798553 0.013933 0.461641 O\n0.732361 0.976039 0.776096 O\n0.773935 0.669813 0.147495 O\n0.993316 0.579151 0.397115 O\n0.006684 0.420849 0.602885 O\n0.396387 0.840577 0.895521 O\n0.613935 0.270915 0.474889 O\n0.836417 0.646196 0.592816 O\n0.251510 0.465692 0.027331 O\n0.194851 0.483117 0.234989 O\n0.115628 0.692108 0.627967 O\n0.039926 0.937361 0.346789 O\n0.226065 0.330187 0.852505 O\n0.767787 0.023921 0.276046 O\n0.357689 0.855130 0.369666 O\n0.276268 0.522625 0.736270 O\n0.303048 0.831005 0.142356 O\n0.647472 0.358271 0.091384 O\n0.232213 0.976079 0.723954 O\n0.696952 0.168995 0.857644 O\n",
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