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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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"structure_string": "Cd3 Ag1\n1.0\n1.589430 -2.752973 0.000000\n1.589430 2.752973 0.000000\n0.000000 0.000000 9.646080\nCd Ag\n3 1\ndirect\n0.333333 0.666667 0.500000 Cd\n0.000000 0.000000 0.239696 Cd\n0.000000 0.000000 0.760304 Cd\n0.333333 0.666667 0.000000 Ag\n",
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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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{
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{
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{
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}