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{
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{
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{
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"structure_string": "U2 H32 C8 N4 O12\n1.0\n7.144256 0.000000 0.000000\n0.000000 7.836552 0.000000\n0.000000 2.127627 9.674532\nU H C N O\n2 32 8 4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.844367 0.161011 0.244806 H\n0.344367 0.838989 0.255194 H\n0.155633 0.838989 0.755194 H\n0.655633 0.161011 0.744806 H\n0.066354 0.155271 0.252729 H\n0.566354 0.844729 0.247271 H\n0.933646 0.844729 0.747271 H\n0.433646 0.155271 0.752729 H\n0.972566 0.295001 0.461828 H\n0.472566 0.704999 0.038172 H\n0.027434 0.704999 0.538172 H\n0.527434 0.295001 0.961828 H\n0.605847 0.691358 0.886732 H\n0.105847 0.308642 0.613268 H\n0.394153 0.308642 0.113268 H\n0.894153 0.691358 0.386732 H\n0.949013 0.899250 0.421846 H\n0.449013 0.100750 0.078154 H\n0.050987 0.100750 0.578154 H\n0.550987 0.899250 0.921846 H\n0.709507 0.525696 0.193406 H\n0.209507 0.474304 0.306594 H\n0.290493 0.474304 0.806594 H\n0.790493 0.525696 0.693406 H\n0.951837 0.585424 0.163934 H\n0.451837 0.414576 0.336066 H\n0.048163 0.414576 0.836066 H\n0.548163 0.585424 0.663934 H\n0.823260 0.501485 0.037966 H\n0.323260 0.498515 0.462034 H\n0.176740 0.498515 0.962034 H\n0.676740 0.501485 0.537966 H\n0.586697 0.763962 0.968642 C\n0.086697 0.236038 0.531358 C\n0.413303 0.236038 0.031358 C\n0.913303 0.763962 0.468642 C\n0.814957 0.582628 0.115113 C\n0.314957 0.417372 0.384887 C\n0.185043 0.417372 0.884887 C\n0.685043 0.582628 0.615113 C\n0.762718 0.760957 0.045326 N\n0.262718 0.239043 0.454674 N\n0.237282 0.239043 0.954674 N\n0.737282 0.760957 0.545326 N\n0.165330 0.857212 0.116521 O\n0.665330 0.142788 0.383479 O\n0.834670 0.142788 0.883479 O\n0.334670 0.857212 0.616521 O\n0.957496 0.170572 0.186504 O\n0.457496 0.829428 0.313496 O\n0.042504 0.829428 0.813496 O\n0.542504 0.170572 0.686504 O\n0.753233 0.872706 0.139150 O\n0.253233 0.127294 0.360850 O\n0.246767 0.127294 0.860850 O\n0.746767 0.872706 0.639150 O\n",
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{
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{
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"structure_string": "Li16 Re16 N32\n1.0\n5.772134 0.000000 0.000000\n0.000000 10.510741 0.000000\n0.000000 0.000000 13.412448\nLi Re N\n16 16 32\ndirect\n0.104177 0.028301 0.424298 Li\n0.604177 0.471699 0.575702 Li\n0.895823 0.528301 0.075702 Li\n0.395823 0.971699 0.924298 Li\n0.895823 0.971699 0.575702 Li\n0.395823 0.528301 0.424298 Li\n0.104177 0.471699 0.924298 Li\n0.604177 0.028301 0.075702 Li\n0.282056 0.256907 0.309693 Li\n0.782056 0.243093 0.690307 Li\n0.717944 0.756907 0.190307 Li\n0.217944 0.743093 0.809693 Li\n0.717944 0.743093 0.690307 Li\n0.217944 0.756907 0.309693 Li\n0.282056 0.243093 0.809693 Li\n0.782056 0.256907 0.190307 Li\n0.606367 0.993989 0.317760 Re\n0.106367 0.506011 0.682240 Re\n0.393633 0.493989 0.182240 Re\n0.893633 0.006011 0.817760 Re\n0.393633 0.006011 0.682240 Re\n0.893633 0.493989 0.317760 Re\n0.606367 0.506011 0.817760 Re\n0.106367 0.993989 0.182240 Re\n0.804602 0.285168 0.422175 Re\n0.304602 0.214832 0.577825 Re\n0.195398 0.785168 0.077825 Re\n0.695398 0.714832 0.922175 Re\n0.195398 0.714832 0.577825 Re\n0.695398 0.785168 0.422175 Re\n0.804602 0.214832 0.922175 Re\n0.304602 0.285168 0.077825 Re\n0.084468 0.220968 0.457641 N\n0.584468 0.279032 0.542359 N\n0.915532 0.720968 0.042359 N\n0.415532 0.779032 0.957641 N\n0.915532 0.779032 0.542359 N\n0.415532 0.720968 0.457641 N\n0.084468 0.279032 0.957641 N\n0.584468 0.220968 0.042359 N\n0.736384 0.470434 0.439697 N\n0.236384 0.029566 0.560303 N\n0.263616 0.970434 0.060303 N\n0.763616 0.529566 0.939697 N\n0.263616 0.529566 0.560303 N\n0.763616 0.970434 0.439697 N\n0.736384 0.029566 0.939697 N\n0.236384 0.470434 0.060303 N\n0.638417 0.185183 0.335308 N\n0.138417 0.314817 0.664692 N\n0.361583 0.685183 0.164692 N\n0.861583 0.814817 0.835308 N\n0.361583 0.814817 0.664692 N\n0.861583 0.685183 0.335308 N\n0.638417 0.314817 0.835308 N\n0.138417 0.185183 0.164692 N\n0.712249 0.475834 0.200428 N\n0.212249 0.024166 0.799572 N\n0.287751 0.975834 0.299572 N\n0.787751 0.524166 0.700428 N\n0.287751 0.524166 0.799572 N\n0.787751 0.975834 0.200428 N\n0.712249 0.024166 0.700428 N\n0.212249 0.475834 0.299572 N\n",
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{
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