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{
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{
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"structure_string": "P12 H34 S12 N14 O14\n1.0\n11.621424 0.000000 0.000000\n3.439594 11.136294 0.000000\n5.522898 4.272220 9.418149\nP H S N O\n12 34 12 14 14\ndirect\n0.120664 0.784709 0.168404 P\n0.879336 0.215291 0.831596 P\n0.858988 0.773765 0.188243 P\n0.141012 0.226235 0.811757 P\n0.097846 0.779722 0.929367 P\n0.902154 0.220278 0.070633 P\n0.111113 0.054906 0.707158 P\n0.888887 0.945094 0.292842 P\n0.851040 0.941149 0.901986 P\n0.148960 0.058851 0.098014 P\n0.278667 0.956413 0.872105 P\n0.721333 0.043587 0.127895 P\n0.349479 0.767230 0.045221 H\n0.650521 0.232770 0.954779 H\n0.958760 0.755851 0.848704 H\n0.041240 0.244149 0.151296 H\n0.234136 0.243294 0.575131 H\n0.765864 0.756706 0.424869 H\n0.336453 0.317430 0.351770 H\n0.663547 0.682570 0.648230 H\n0.360852 0.394612 0.417255 H\n0.639148 0.605388 0.582745 H\n0.282041 0.446786 0.164385 H\n0.717959 0.553214 0.835615 H\n0.312894 0.305181 0.172779 H\n0.687106 0.694819 0.827221 H\n0.466572 0.623261 0.166290 H\n0.533428 0.376739 0.833710 H\n0.512468 0.631315 0.010437 H\n0.487532 0.368685 0.989563 H\n0.440324 0.581630 0.388347 H\n0.559676 0.418370 0.611653 H\n0.533139 0.460263 0.365490 H\n0.466861 0.539737 0.634510 H\n0.020797 0.694946 0.686142 H\n0.979203 0.305054 0.313858 H\n0.969086 0.576464 0.835826 H\n0.030914 0.423536 0.164174 H\n0.462017 0.747670 0.429613 H\n0.537983 0.252330 0.570387 H\n0.315711 0.712644 0.499675 H\n0.684289 0.287356 0.500325 H\n0.141695 0.733367 0.450898 H\n0.858305 0.266633 0.549102 H\n0.133261 0.852748 0.482644 H\n0.866739 0.147252 0.517356 H\n0.786119 0.616682 0.249578 S\n0.213881 0.383318 0.750422 S\n0.135746 0.629632 0.330837 S\n0.864254 0.370368 0.669163 S\n0.206659 0.626307 0.907411 S\n0.793341 0.373693 0.092589 S\n0.155351 0.041546 0.534368 S\n0.844649 0.958454 0.465632 S\n0.715028 0.957510 0.846202 S\n0.284972 0.042490 0.153798 S\n0.452295 0.981693 0.730322 S\n0.547705 0.018307 0.269678 S\n0.167719 0.927127 0.830845 N\n0.832281 0.072873 0.169155 N\n0.260876 0.828757 0.028745 N\n0.739124 0.171243 0.971255 N\n0.026696 0.774664 0.097350 N\n0.973304 0.225336 0.902650 N\n0.967311 0.817374 0.889631 N\n0.032689 0.182626 0.110369 N\n0.164168 0.184437 0.685392 N\n0.835832 0.815563 0.314608 N\n0.194203 0.082450 0.925810 N\n0.805797 0.917550 0.074190 N\n0.054004 0.927307 0.192496 N\n0.945996 0.072693 0.807504 N\n0.333187 0.310038 0.441124 O\n0.666813 0.689962 0.558876 O\n0.347370 0.370757 0.174706 O\n0.652630 0.629243 0.825294 O\n0.466103 0.680822 0.069934 O\n0.533897 0.319178 0.930066 O\n0.462273 0.523311 0.339286 O\n0.537727 0.476689 0.660714 O\n0.949626 0.670237 0.783160 O\n0.050374 0.329763 0.216840 O\n0.407811 0.673993 0.481192 O\n0.592189 0.326007 0.518808 O\n0.148004 0.756670 0.518531 O\n0.851996 0.243330 0.481469 O\n",
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{
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"structure_string": "Li4 Fe8 O4 F12\n1.0\n-0.011442 6.124733 -0.010706\n-5.365842 -3.052297 -0.017029\n0.044927 -0.017454 10.361061\nLi Fe O F\n4 8 4 12\ndirect\n0.331763 0.663014 0.012496 Li\n0.331111 0.662218 0.512519 Li\n0.668854 0.337782 0.487472 Li\n0.668263 0.336999 0.987495 Li\n0.999998 0.999971 0.500009 Fe\n0.499826 0.999418 0.249820 Fe\n0.500187 0.000594 0.750215 Fe\n0.000000 0.999985 0.000015 Fe\n0.999536 0.500354 0.250228 Fe\n0.000539 0.499694 0.749746 Fe\n0.500656 0.500537 0.250162 Fe\n0.499297 0.499425 0.749817 Fe\n0.328255 0.657311 0.332821 O\n0.329307 0.658610 0.832771 O\n0.670710 0.341392 0.167224 O\n0.671775 0.342681 0.667175 O\n0.826888 0.653925 0.394362 F\n0.830957 0.659138 0.896727 F\n0.169066 0.340880 0.103271 F\n0.173099 0.346069 0.605633 F\n0.180448 0.835403 0.109218 F\n0.182311 0.839519 0.608859 F\n0.651202 0.835522 0.110784 F\n0.656393 0.839608 0.609289 F\n0.817641 0.160490 0.391143 F\n0.819576 0.164604 0.890792 F\n0.343534 0.160375 0.390714 F\n0.348809 0.164480 0.889222 F\n",
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{
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{
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"structure_string": "Pr6 Rh8 Pb26\n1.0\n10.190965 0.000000 0.000000\n0.000000 10.190965 0.000000\n0.000000 0.000000 10.190965\nPr Rh Pb\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Pr\n0.500000 0.250000 0.000000 Pr\n0.750000 0.000000 0.500000 Pr\n0.000000 0.500000 0.250000 Pr\n0.500000 0.750000 0.000000 Pr\n0.250000 0.000000 0.500000 Pr\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.806369 0.345025 0.500000 Pb\n0.654975 0.500000 0.806369 Pb\n0.500000 0.193631 0.654975 Pb\n0.193631 0.654975 0.500000 Pb\n0.345025 0.500000 0.193631 Pb\n0.500000 0.806369 0.345025 Pb\n0.806369 0.654975 0.500000 Pb\n0.654975 0.500000 0.193631 Pb\n0.193631 0.345025 0.500000 Pb\n0.345025 0.500000 0.806369 Pb\n0.500000 0.806369 0.654975 Pb\n0.500000 0.193631 0.345025 Pb\n0.306369 0.000000 0.845025 Pb\n0.154975 0.306369 0.000000 Pb\n0.000000 0.154975 0.693631 Pb\n0.693631 0.000000 0.154975 Pb\n0.845025 0.693631 0.000000 Pb\n0.000000 0.845025 0.306369 Pb\n0.306369 0.000000 0.154975 Pb\n0.154975 0.693631 0.000000 Pb\n0.693631 0.000000 0.845025 Pb\n0.845025 0.306369 0.000000 Pb\n0.000000 0.154975 0.306369 Pb\n0.000000 0.845025 0.693631 Pb\n",
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{
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"structure_string": "Ca1 Er15 Si8 Se11 Cl1 O28\n1.0\n5.931888 9.108714 0.000000\n-5.931888 9.108714 0.000000\n0.000000 7.707307 9.011713\nCa Er Si Se Cl O\n1 15 8 11 1 28\ndirect\n0.331063 0.331063 0.181445 Ca\n0.655984 0.185316 0.329495 Er\n0.299758 0.952311 0.301228 Er\n0.330460 0.330460 0.658273 Er\n0.699808 0.048425 0.047358 Er\n0.047403 0.704188 0.703865 Er\n0.185316 0.655984 0.329495 Er\n0.947311 0.301796 0.949263 Er\n0.669023 0.669023 0.818974 Er\n0.048425 0.699808 0.047358 Er\n0.816746 0.344713 0.669589 Er\n0.301796 0.947311 0.949263 Er\n0.952311 0.299758 0.301228 Er\n0.669748 0.669748 0.341683 Er\n0.704188 0.047403 0.703865 Er\n0.344713 0.816746 0.669589 Er\n0.784784 0.536449 0.090110 Si\n0.536449 0.784784 0.090110 Si\n0.089765 0.089765 0.784663 Si\n0.909321 0.909321 0.463866 Si\n0.089462 0.089462 0.536081 Si\n0.908939 0.908939 0.216944 Si\n0.463666 0.215017 0.910118 Si\n0.215017 0.463666 0.910118 Si\n0.354063 0.644874 0.501719 Se\n0.377404 0.377404 0.378854 Se\n0.876357 0.876357 0.875153 Se\n0.502610 0.996120 0.358017 Se\n0.000479 0.501658 0.643486 Se\n0.996120 0.502610 0.358017 Se\n0.648907 0.357116 0.995105 Se\n0.625801 0.625801 0.624206 Se\n0.357116 0.648907 0.995105 Se\n0.644874 0.354063 0.501719 Se\n0.501658 0.000479 0.643486 Se\n0.125281 0.125281 0.124234 Cl\n0.819711 0.351117 0.164686 O\n0.573932 0.851240 0.161777 O\n0.844475 0.087746 0.147044 O\n0.607870 0.607870 0.143228 O\n0.160898 0.913427 0.574080 O\n0.145520 0.422167 0.845744 O\n0.351117 0.819711 0.164686 O\n0.164954 0.164954 0.820035 O\n0.086254 0.845188 0.418987 O\n0.852319 0.574309 0.913835 O\n0.142932 0.142932 0.607259 O\n0.833993 0.833993 0.648387 O\n0.424471 0.138429 0.086172 O\n0.087746 0.844475 0.147044 O\n0.912828 0.161059 0.852555 O\n0.574309 0.852319 0.913835 O\n0.160457 0.160457 0.352390 O\n0.855526 0.855526 0.394141 O\n0.138429 0.424471 0.086172 O\n0.913427 0.160898 0.574080 O\n0.833835 0.833835 0.183159 O\n0.648484 0.184919 0.832086 O\n0.851240 0.573932 0.161777 O\n0.845188 0.086255 0.418987 O\n0.392280 0.392280 0.856979 O\n0.161059 0.912828 0.852555 O\n0.422167 0.145520 0.845744 O\n0.184919 0.648484 0.832086 O\n",
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{
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{
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}