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{
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{
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{
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{
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{
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{
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"structure_string": "Li2 Fe16 F66\n1.0\n8.793302 0.000273 -0.000159\n-4.396414 7.614813 0.000319\n-0.000375 0.000650 18.584750\nLi Fe F\n2 16 66\ndirect\n0.333321 0.666670 0.068798 Li\n0.666679 0.333348 0.568798 Li\n0.006882 0.670765 0.250283 Fe\n0.008155 0.342949 0.876685 Fe\n0.334776 0.991809 0.876762 Fe\n0.999917 0.999961 0.994233 Fe\n0.000083 0.000044 0.494233 Fe\n0.333296 0.666645 0.631283 Fe\n0.329366 0.336022 0.250252 Fe\n0.336051 0.329202 0.750303 Fe\n0.663949 0.993150 0.250303 Fe\n0.656899 0.665161 0.876707 Fe\n0.665224 0.657033 0.376762 Fe\n0.343101 0.008261 0.376707 Fe\n0.666704 0.333349 0.131283 Fe\n0.993118 0.663884 0.750283 Fe\n0.670634 0.006657 0.750252 Fe\n0.991845 0.334795 0.376685 Fe\n0.072296 0.879278 0.043833 F\n0.072502 0.857606 0.197620 F\n0.118938 0.926931 0.432110 F\n0.139112 0.867592 0.810536 F\n0.206839 0.806827 0.319210 F\n0.075021 0.546927 0.810693 F\n0.123692 0.593442 0.196765 F\n0.213155 0.741350 0.692662 F\n0.249435 0.798907 0.930113 F\n0.109596 0.519509 0.431667 F\n0.139909 0.545412 0.581773 F\n0.409890 0.890517 0.431665 F\n0.073121 0.191974 0.432098 F\n0.405506 0.860044 0.581789 F\n0.201018 0.450438 0.930113 F\n0.132376 0.271561 0.810547 F\n0.472074 0.925046 0.810632 F\n0.193343 0.399984 0.319123 F\n0.469783 0.876384 0.196779 F\n0.120691 0.193016 0.043842 F\n0.142732 0.215136 0.197649 F\n0.258714 0.471830 0.692683 F\n0.528217 0.786916 0.692694 F\n0.192997 0.120680 0.543835 F\n0.214908 0.142456 0.697613 F\n0.406541 0.530087 0.196801 F\n0.191929 0.073115 0.932111 F\n0.454581 0.594545 0.581796 F\n0.549548 0.750451 0.930087 F\n0.480476 0.590077 0.431704 F\n0.453018 0.528101 0.810705 F\n0.599974 0.793343 0.319143 F\n0.271531 0.132395 0.310539 F\n0.400026 0.193370 0.819143 F\n0.728469 0.860864 0.810539 F\n0.527926 0.452973 0.310632 F\n0.785092 0.927548 0.197613 F\n0.530217 0.406602 0.696779 F\n0.807003 0.927683 0.043835 F\n0.471783 0.258699 0.192694 F\n0.450452 0.200903 0.430087 F\n0.590110 0.480628 0.931665 F\n0.594494 0.454539 0.081789 F\n0.808071 0.881187 0.432111 F\n0.519524 0.109601 0.931704 F\n0.881062 0.807994 0.932110 F\n0.545419 0.139964 0.081796 F\n0.750565 0.549472 0.430113 F\n0.860888 0.728482 0.310536 F\n0.546982 0.075083 0.310705 F\n0.793161 0.599988 0.819210 F\n0.593460 0.123547 0.696801 F\n0.927704 0.806982 0.543833 F\n0.927498 0.785104 0.697620 F\n0.786845 0.528195 0.192662 F\n0.741286 0.213115 0.192683 F\n0.876308 0.469750 0.696765 F\n0.860091 0.405503 0.081773 F\n0.798982 0.249420 0.430113 F\n0.890404 0.409914 0.931667 F\n0.924979 0.471906 0.310693 F\n0.806657 0.206640 0.819123 F\n0.867624 0.139185 0.310547 F\n0.857268 0.072405 0.697649 F\n0.879309 0.072324 0.543842 F\n0.926879 0.118853 0.932098 F\n",
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{
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{
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"structure_string": "Cu8 H16 C16 O32\n1.0\n6.765617 0.000000 0.000000\n0.000000 11.480530 0.000000\n0.000000 0.000000 12.120118\nCu H C O\n8 16 16 32\ndirect\n0.705181 0.887046 0.480168 Cu\n0.705181 0.387046 0.019832 Cu\n0.794819 0.887046 0.980168 Cu\n0.205181 0.112954 0.019832 Cu\n0.205181 0.612954 0.480168 Cu\n0.794819 0.387046 0.519832 Cu\n0.294819 0.112954 0.519832 Cu\n0.294819 0.612954 0.980168 Cu\n0.481020 0.828855 0.212239 H\n0.481020 0.328855 0.287761 H\n0.981020 0.671145 0.212239 H\n0.518980 0.671145 0.712239 H\n0.018980 0.828855 0.712239 H\n0.518980 0.171145 0.787761 H\n0.562936 0.656016 0.416343 H\n0.937064 0.656016 0.916343 H\n0.562936 0.156016 0.083657 H\n0.981020 0.171145 0.287761 H\n0.437064 0.843984 0.916343 H\n0.062936 0.343984 0.083657 H\n0.437064 0.343984 0.583657 H\n0.062936 0.843984 0.416343 H\n0.018980 0.328855 0.787761 H\n0.937064 0.156016 0.583657 H\n0.162355 0.612699 0.320898 C\n0.662355 0.887301 0.320898 C\n0.181171 0.855847 0.477959 C\n0.337645 0.612699 0.820898 C\n0.662355 0.387301 0.179102 C\n0.837645 0.887301 0.820898 C\n0.162355 0.112699 0.179102 C\n0.181171 0.355847 0.022041 C\n0.681171 0.144153 0.022041 C\n0.681171 0.644153 0.477959 C\n0.818829 0.644153 0.977959 C\n0.818829 0.144153 0.522041 C\n0.318829 0.355847 0.522041 C\n0.837645 0.387301 0.679102 C\n0.318829 0.855847 0.977959 C\n0.337645 0.112699 0.679102 C\n0.523048 0.310503 0.211942 O\n0.523048 0.810503 0.288058 O\n0.742157 0.045287 0.511529 O\n0.742157 0.545287 0.988471 O\n0.763241 0.732879 0.034012 O\n0.744044 0.456809 0.240106 O\n0.242157 0.954713 0.988471 O\n0.236759 0.767121 0.534012 O\n0.255956 0.043191 0.740106 O\n0.263241 0.267121 0.465988 O\n0.736759 0.232879 0.965988 O\n0.476952 0.189497 0.711942 O\n0.257843 0.454713 0.011529 O\n0.476952 0.689497 0.788058 O\n0.755956 0.956809 0.759894 O\n0.744044 0.956809 0.259894 O\n0.236759 0.267121 0.965988 O\n0.976952 0.810503 0.788058 O\n0.255956 0.543191 0.759894 O\n0.257843 0.954713 0.488471 O\n0.736759 0.732879 0.534012 O\n0.757843 0.545287 0.488471 O\n0.244044 0.543191 0.259894 O\n0.263241 0.767121 0.034012 O\n0.242157 0.454713 0.511529 O\n0.757843 0.045287 0.011529 O\n0.755956 0.456809 0.740106 O\n0.023048 0.689497 0.288058 O\n0.023048 0.189497 0.211942 O\n0.244044 0.043191 0.240106 O\n0.763241 0.232879 0.465988 O\n0.976952 0.310503 0.711942 O\n",
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{
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"structure_string": "K12 Cu12 P12 Se36\n1.0\n10.833894 0.000000 0.000000\n0.000000 8.867842 0.000000\n0.000000 1.046927 20.200680\nK Cu P Se\n12 12 12 36\ndirect\n0.703497 0.477768 0.508327 K\n0.491506 0.853325 0.897748 K\n0.203497 0.522232 0.991673 K\n0.508494 0.146675 0.102252 K\n0.991506 0.146675 0.602252 K\n0.008494 0.853325 0.397748 K\n0.796503 0.477768 0.008327 K\n0.174748 0.194353 0.793011 K\n0.296503 0.522232 0.491673 K\n0.325252 0.194353 0.293011 K\n0.674748 0.805647 0.706989 K\n0.825252 0.805647 0.206989 K\n0.992826 0.824472 0.863339 Cu\n0.641947 0.470188 0.274120 Cu\n0.358053 0.529812 0.725880 Cu\n0.706680 0.135269 0.392038 Cu\n0.492826 0.175528 0.636661 Cu\n0.007174 0.175528 0.136661 Cu\n0.293320 0.864731 0.607962 Cu\n0.206680 0.864731 0.107962 Cu\n0.858053 0.470188 0.774120 Cu\n0.141947 0.529812 0.225880 Cu\n0.507174 0.824472 0.363339 Cu\n0.793320 0.135269 0.892038 Cu\n0.943626 0.395301 0.356520 P\n0.556374 0.395301 0.856520 P\n0.056374 0.604699 0.643480 P\n0.406794 0.732007 0.237204 P\n0.443626 0.604699 0.143480 P\n0.580723 0.930851 0.521698 P\n0.093206 0.732007 0.737204 P\n0.593206 0.267993 0.762796 P\n0.906794 0.267993 0.262796 P\n0.419277 0.069149 0.478302 P\n0.080723 0.069149 0.978302 P\n0.919277 0.930851 0.021698 P\n0.802787 0.578664 0.348525 Se\n0.450675 0.563945 0.321128 Se\n0.314342 0.131183 0.568772 Se\n0.138343 0.471100 0.348502 Se\n0.535783 0.924829 0.242968 Se\n0.197213 0.421336 0.651475 Se\n0.035783 0.075171 0.257032 Se\n0.599946 0.228698 0.939219 Se\n0.292498 0.796043 0.727019 Se\n0.707502 0.203957 0.272981 Se\n0.302787 0.421336 0.151475 Se\n0.099946 0.771302 0.560781 Se\n0.950675 0.436055 0.178872 Se\n0.400054 0.771302 0.060781 Se\n0.319515 0.916763 0.413446 Se\n0.964217 0.924829 0.742968 Se\n0.361657 0.471100 0.848502 Se\n0.207502 0.796043 0.227019 Se\n0.680485 0.083237 0.586554 Se\n0.464217 0.075171 0.757032 Se\n0.185658 0.131183 0.068772 Se\n0.990890 0.262271 0.923390 Se\n0.638343 0.528900 0.151498 Se\n0.180485 0.916763 0.913446 Se\n0.049325 0.563945 0.821128 Se\n0.900054 0.228698 0.439219 Se\n0.509110 0.262271 0.423390 Se\n0.819515 0.083237 0.086554 Se\n0.792498 0.203957 0.772981 Se\n0.009110 0.737729 0.076610 Se\n0.685658 0.868817 0.431228 Se\n0.861657 0.528900 0.651498 Se\n0.814342 0.868817 0.931228 Se\n0.549325 0.436055 0.678872 Se\n0.490890 0.737729 0.576610 Se\n0.697213 0.578664 0.848525 Se\n",
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