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{
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{
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"structure_string": "Li4 Cu2 H28 C8 N12 O16\n1.0\n12.966334 0.000000 0.000000\n0.000000 3.518611 0.000000\n0.000000 1.715756 13.402962\nLi Cu H C N O\n4 2 28 8 12 16\ndirect\n0.094367 0.714452 0.364277 Li\n0.405633 0.714452 0.864277 Li\n0.594367 0.285548 0.135723 Li\n0.905633 0.285548 0.635723 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.586352 0.087414 0.935485 H\n0.585285 0.261989 0.822527 H\n0.787813 0.712009 0.375790 H\n0.149070 0.390066 0.833411 H\n0.241831 0.495318 0.760022 H\n0.741831 0.504682 0.739978 H\n0.487677 0.815216 0.323759 H\n0.649070 0.609934 0.666589 H\n0.337061 0.873610 0.393286 H\n0.837061 0.126390 0.106714 H\n0.085285 0.738011 0.677473 H\n0.987677 0.184784 0.176241 H\n0.086352 0.912586 0.564515 H\n0.287813 0.287991 0.124210 H\n0.712187 0.712009 0.875790 H\n0.913648 0.087414 0.435485 H\n0.012323 0.815216 0.823759 H\n0.914715 0.261989 0.322527 H\n0.162939 0.873610 0.893286 H\n0.662939 0.126390 0.606714 H\n0.350930 0.390066 0.333411 H\n0.512323 0.184784 0.676241 H\n0.258169 0.495318 0.260022 H\n0.758169 0.504682 0.239978 H\n0.850930 0.609934 0.166589 H\n0.212187 0.287991 0.624210 H\n0.414715 0.738011 0.177473 H\n0.413648 0.912586 0.064515 H\n0.633328 0.754467 0.345222 C\n0.229035 0.083267 0.001552 C\n0.729035 0.916733 0.498448 C\n0.133328 0.245533 0.154778 C\n0.866672 0.754467 0.845222 C\n0.270965 0.083267 0.501552 C\n0.770965 0.916733 0.998448 C\n0.366672 0.245533 0.654778 C\n0.855642 0.983371 0.047379 N\n0.719894 0.778906 0.406214 N\n0.542148 0.839289 0.376928 N\n0.042148 0.160711 0.123072 N\n0.219894 0.221094 0.093786 N\n0.355642 0.016629 0.452621 N\n0.644358 0.983371 0.547379 N\n0.780106 0.778906 0.906214 N\n0.957852 0.839289 0.876928 N\n0.457852 0.160711 0.623072 N\n0.280106 0.221094 0.593786 N\n0.144358 0.016629 0.952621 N\n0.321802 0.035147 0.970282 O\n0.538231 0.167179 0.878715 O\n0.350232 0.349218 0.742070 O\n0.669633 0.414553 0.722158 O\n0.169633 0.585447 0.777842 O\n0.850232 0.650782 0.757930 O\n0.038231 0.832821 0.621285 O\n0.821802 0.964853 0.529718 O\n0.178198 0.035147 0.470282 O\n0.961769 0.167179 0.378715 O\n0.149768 0.349218 0.242070 O\n0.830367 0.414553 0.222158 O\n0.330367 0.585447 0.277842 O\n0.649768 0.650782 0.257930 O\n0.461769 0.832821 0.121285 O\n0.678198 0.964853 0.029718 O\n",
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"formula_full": "Li4 Cu2 H28 C8 N12 O16",
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{
"id": "mp-754428",
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"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n-0.000809 -0.009269 5.211477\n9.028555 6.859408 0.012642\n-8.928943 6.726354 -0.036584\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.754580 0.159159 0.075586 Na\n0.754596 0.659212 0.575692 Na\n0.251357 0.378795 0.123505 Na\n0.251324 0.878817 0.623574 Na\n0.754064 0.621994 0.881774 Na\n0.754116 0.121940 0.381676 Na\n0.751861 0.868997 0.127932 Na\n0.751822 0.369074 0.627939 Na\n0.242771 0.839100 0.920821 Na\n0.242783 0.339095 0.420792 Na\n0.212468 0.158955 0.872252 Li\n0.212505 0.658974 0.372231 Li\n0.779023 0.055379 0.699210 Mn\n0.223942 0.944167 0.305414 Mn\n0.779197 0.555239 0.199484 Mn\n0.223749 0.444326 0.805254 Mn\n0.708273 0.329094 0.918652 P\n0.708553 0.828892 0.418702 P\n0.300150 0.668939 0.086776 P\n0.300079 0.168959 0.586695 P\n0.734376 0.403508 0.344860 C\n0.734369 0.903574 0.844813 C\n0.261355 0.592489 0.646598 C\n0.261330 0.092492 0.146629 C\n0.279152 0.158989 0.069105 O\n0.279179 0.658994 0.569117 O\n0.961242 0.431427 0.312552 O\n0.961210 0.931463 0.812550 O\n0.532928 0.450701 0.306078 O\n0.532861 0.950709 0.806017 O\n0.821376 0.197206 0.875730 O\n0.821718 0.696932 0.376187 O\n0.774043 0.378029 0.059075 O\n0.774048 0.878057 0.559110 O\n0.408742 0.324178 0.901311 O\n0.409049 0.823935 0.401251 O\n0.182581 0.595191 0.172163 O\n0.182765 0.095168 0.672069 O\n0.820551 0.411800 0.841486 O\n0.820990 0.911481 0.341511 O\n0.599007 0.661730 0.094401 O\n0.598975 0.161813 0.594305 O\n0.214930 0.617387 0.948691 O\n0.214814 0.117358 0.448638 O\n0.216861 0.806165 0.127163 O\n0.216486 0.306132 0.627076 O\n0.467302 0.554767 0.692395 O\n0.467317 0.054844 0.192430 O\n0.037897 0.561613 0.680917 O\n0.037899 0.061614 0.180915 O\n0.708710 0.830585 0.915439 O\n0.708725 0.330564 0.415449 O\n",
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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": "Cs8 Mo8 H16 C16 S8 O56\n1.0\n16.836979 0.000000 0.000000\n0.000000 9.986275 0.000000\n0.000000 5.253153 12.006650\nCs Mo H C S O\n8 8 16 16 8 56\ndirect\n0.902705 0.031672 0.711886 Cs\n0.597295 0.031672 0.211886 Cs\n0.097295 0.968328 0.288114 Cs\n0.402705 0.968328 0.788114 Cs\n0.518203 0.522995 0.187602 Cs\n0.981797 0.522995 0.687602 Cs\n0.481797 0.477005 0.812398 Cs\n0.018203 0.477005 0.312398 Cs\n0.640742 0.766756 0.883613 Mo\n0.859258 0.766756 0.383613 Mo\n0.359258 0.233244 0.116387 Mo\n0.140742 0.233244 0.616387 Mo\n0.635259 0.130321 0.839217 Mo\n0.864741 0.130321 0.339217 Mo\n0.364741 0.869679 0.160783 Mo\n0.135259 0.869679 0.660783 Mo\n0.706785 0.569920 0.089214 H\n0.793215 0.569920 0.589214 H\n0.293215 0.430080 0.910786 H\n0.206785 0.430080 0.410786 H\n0.706371 0.487217 0.007207 H\n0.793629 0.487217 0.507207 H\n0.293629 0.512783 0.992793 H\n0.206371 0.512783 0.492793 H\n0.665140 0.425497 0.685925 H\n0.834860 0.425497 0.185925 H\n0.334860 0.574503 0.314075 H\n0.165140 0.574503 0.814075 H\n0.632710 0.340696 0.614412 H\n0.867290 0.340696 0.114412 H\n0.367290 0.659304 0.385588 H\n0.132710 0.659304 0.885588 H\n0.788376 0.689949 0.783346 C\n0.711624 0.689949 0.283346 C\n0.211624 0.310051 0.216654 C\n0.288376 0.310051 0.716654 C\n0.717724 0.620374 0.745770 C\n0.782276 0.620374 0.245770 C\n0.282276 0.379626 0.254230 C\n0.217724 0.379626 0.754230 C\n0.799740 0.247352 0.857805 C\n0.700260 0.247352 0.357805 C\n0.200260 0.752648 0.142195 C\n0.299740 0.752648 0.642195 C\n0.744562 0.296263 0.932664 C\n0.755438 0.296263 0.432664 C\n0.255438 0.703737 0.067336 C\n0.244562 0.703737 0.567336 C\n0.669033 0.905563 0.989927 S\n0.830967 0.905563 0.489927 S\n0.330967 0.094437 0.010073 S\n0.169033 0.094437 0.510073 S\n0.630844 0.995592 0.724008 S\n0.869156 0.995592 0.224008 S\n0.369156 0.004408 0.275992 S\n0.130844 0.004408 0.775992 S\n0.540735 0.717184 0.906461 O\n0.959265 0.717184 0.406461 O\n0.459265 0.282816 0.093539 O\n0.040735 0.282816 0.593539 O\n0.536192 0.151599 0.866041 O\n0.963808 0.151599 0.366041 O\n0.463808 0.848401 0.133959 O\n0.036192 0.848401 0.633959 O\n0.676057 0.561794 0.026162 O\n0.823943 0.561794 0.526162 O\n0.323943 0.438206 0.973838 O\n0.176057 0.438206 0.473838 O\n0.626758 0.346849 0.686756 O\n0.873242 0.346849 0.186756 O\n0.373242 0.653151 0.313244 O\n0.126758 0.653151 0.813244 O\n0.765614 0.757738 0.844508 O\n0.734386 0.757738 0.344508 O\n0.234386 0.242262 0.155492 O\n0.265614 0.242262 0.655492 O\n0.649151 0.640351 0.779557 O\n0.850849 0.640351 0.279557 O\n0.350849 0.359649 0.220443 O\n0.149151 0.359649 0.720443 O\n0.857337 0.679649 0.755311 O\n0.642663 0.679649 0.255311 O\n0.142663 0.320351 0.244689 O\n0.357337 0.320351 0.744689 O\n0.729222 0.545849 0.689086 O\n0.770778 0.545849 0.189086 O\n0.270778 0.454151 0.310914 O\n0.229222 0.454151 0.810914 O\n0.760308 0.183201 0.804482 O\n0.739692 0.183201 0.304482 O\n0.239692 0.816799 0.195518 O\n0.260308 0.816799 0.695518 O\n0.671830 0.252017 0.938048 O\n0.828170 0.252017 0.438048 O\n0.328170 0.747983 0.061952 O\n0.171830 0.747983 0.561952 O\n0.872052 0.270694 0.850616 O\n0.627948 0.270694 0.350616 O\n0.127948 0.729306 0.149384 O\n0.372052 0.729306 0.649384 O\n0.769698 0.376273 0.978522 O\n0.730302 0.376273 0.478522 O\n0.230302 0.623727 0.021478 O\n0.269698 0.623727 0.521478 O\n0.484012 0.323627 0.549662 O\n0.015988 0.323627 0.049662 O\n0.515988 0.676373 0.450338 O\n0.984012 0.676373 0.950338 O\n0.981721 0.764224 0.994868 O\n0.518279 0.764224 0.494868 O\n0.018279 0.235776 0.005132 O\n0.481721 0.235776 0.505132 O\n",
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}
]
}