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{
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{
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{
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"structure_string": "Hf1 Mg14 Bi1 O16\n1.0\n8.899991 0.000000 0.000000\n0.000000 8.899991 -0.000000\n0.000000 0.000000 4.407969\nHf Mg Bi O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Hf\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.259578 0.500000 Mg\n0.000000 0.740422 0.500000 Mg\n0.500000 0.241641 0.500000 Mg\n0.500000 0.758359 0.500000 Mg\n0.259578 0.000000 0.500000 Mg\n0.241641 0.500000 0.500000 Mg\n0.740422 0.000000 0.500000 Mg\n0.758359 0.500000 0.500000 Mg\n0.246285 0.246285 0.000000 Mg\n0.246285 0.753715 0.000000 Mg\n0.753715 0.246285 0.000000 Mg\n0.753715 0.753715 0.000000 Mg\n0.000000 0.000000 0.000000 Bi\n0.284270 -0.000000 0.000000 O\n0.258244 0.500000 0.000000 O\n0.715730 0.000000 0.000000 O\n0.741756 0.500000 -0.000000 O\n0.252565 0.252565 0.500000 O\n0.252565 0.747435 0.500000 O\n0.747435 0.252565 0.500000 O\n0.747435 0.747435 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.284270 -0.000000 O\n0.000000 0.715730 -0.000000 O\n0.500000 0.258244 -0.000000 O\n0.500000 0.741756 -0.000000 O\n",
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{
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"structure_string": "Ni4 H48 S4 O40\n1.0\n6.817371 0.000000 0.000000\n0.000000 6.817371 0.000000\n0.000000 0.000000 18.437610\nNi H S O\n4 48 4 40\ndirect\n0.288265 0.711735 0.250000 Ni\n0.788265 0.788265 0.500000 Ni\n0.711735 0.288265 0.750000 Ni\n0.211735 0.211735 0.000000 Ni\n0.428222 0.855395 0.544280 H\n0.144605 0.571778 0.955720 H\n0.507316 0.968848 0.183355 H\n0.578205 0.648950 0.708344 H\n0.648950 0.578205 0.291656 H\n0.725826 0.013093 0.382477 H\n0.582395 0.754750 0.345997 H\n0.225826 0.486907 0.367523 H\n0.071778 0.355395 0.705720 H\n0.536300 0.376057 0.058401 H\n0.417605 0.245250 0.845997 H\n0.031152 0.492684 0.316645 H\n0.774174 0.513093 0.867523 H\n0.486907 0.225826 0.632477 H\n0.082395 0.745250 0.404003 H\n0.531152 0.007316 0.433355 H\n0.007316 0.531152 0.566645 H\n0.254750 0.917605 0.095997 H\n0.963700 0.876057 0.191599 H\n0.148950 0.921795 0.458344 H\n0.571778 0.144605 0.044280 H\n0.463700 0.623943 0.558401 H\n0.351050 0.421795 0.791656 H\n0.513093 0.774174 0.132477 H\n0.013093 0.725826 0.617523 H\n0.928222 0.644605 0.205720 H\n0.745250 0.082395 0.595997 H\n0.851050 0.078205 0.958344 H\n0.376057 0.536300 0.941599 H\n0.623943 0.463700 0.441599 H\n0.355395 0.071778 0.294280 H\n0.036300 0.123943 0.691599 H\n0.492684 0.031152 0.683355 H\n0.274174 0.986907 0.882477 H\n0.421795 0.351050 0.208344 H\n0.855395 0.428222 0.455720 H\n0.968848 0.507316 0.816645 H\n0.468848 0.992684 0.933355 H\n0.876057 0.963700 0.808401 H\n0.245250 0.417605 0.154003 H\n0.123943 0.036300 0.308401 H\n0.644605 0.928222 0.794280 H\n0.754750 0.582395 0.654003 H\n0.986907 0.274174 0.117523 H\n0.921795 0.148950 0.541656 H\n0.917605 0.254750 0.904003 H\n0.078205 0.851050 0.041656 H\n0.992684 0.468848 0.066645 H\n0.707901 0.707901 0.000000 S\n0.292099 0.292099 0.500000 S\n0.207901 0.792099 0.750000 S\n0.792099 0.207901 0.250000 S\n0.255414 0.973479 0.306752 O\n0.859432 0.428087 0.836487 O\n0.179283 0.951287 0.051875 O\n0.888636 0.125747 0.184004 O\n0.140568 0.571913 0.336487 O\n0.171792 0.575521 0.754770 O\n0.428087 0.859432 0.163513 O\n0.374253 0.388636 0.434004 O\n0.424479 0.828208 0.745230 O\n0.625747 0.611364 0.934004 O\n0.526521 0.755414 0.556752 O\n0.473479 0.244586 0.056752 O\n0.671792 0.924479 0.995230 O\n0.951287 0.179283 0.948125 O\n0.755414 0.526521 0.443248 O\n0.611364 0.625747 0.065996 O\n0.075521 0.328208 0.504770 O\n0.575521 0.171792 0.245230 O\n0.048713 0.820717 0.448125 O\n0.320717 0.451287 0.198125 O\n0.026521 0.744586 0.193248 O\n0.640568 0.928087 0.413513 O\n0.973479 0.255414 0.693248 O\n0.874253 0.111364 0.315996 O\n0.359432 0.071913 0.913513 O\n0.244586 0.473479 0.943248 O\n0.125747 0.888636 0.815996 O\n0.924479 0.671792 0.004770 O\n0.744586 0.026521 0.806752 O\n0.111364 0.874253 0.684004 O\n0.571913 0.140568 0.663513 O\n0.548713 0.679283 0.301875 O\n0.388636 0.374253 0.565996 O\n0.828208 0.424479 0.254770 O\n0.928087 0.640568 0.586487 O\n0.820717 0.048713 0.551875 O\n0.451287 0.320717 0.801875 O\n0.328208 0.075521 0.495230 O\n0.679283 0.548713 0.698125 O\n0.071913 0.359432 0.086487 O\n",
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{
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"structure_string": "Cd1 C1 N2\n1.0\n4.988275 -1.805253 0.000000\n4.988275 1.805253 0.000000\n4.334955 0.000000 3.057776\nCd C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 C\n0.584544 0.584544 0.584544 N\n0.415456 0.415456 0.415456 N\n",
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{
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"structure_string": "Ca4 H72 Br8 O36\n1.0\n7.789473 0.000000 -1.489341\n0.000000 8.850776 0.000000\n0.078941 0.000000 18.531224\nCa H Br O\n4 72 8 36\ndirect\n0.086075 0.739326 0.397961 Ca\n0.586075 0.760674 0.897961 Ca\n0.913925 0.260674 0.602039 Ca\n0.413925 0.239326 0.102039 Ca\n0.473227 0.812449 0.432490 H\n0.973227 0.687551 0.932490 H\n0.526773 0.187551 0.567510 H\n0.026773 0.312449 0.067510 H\n0.429899 0.701391 0.492007 H\n0.929899 0.798609 0.992007 H\n0.570101 0.298609 0.507993 H\n0.070101 0.201391 0.007993 H\n0.226646 0.030620 0.484463 H\n0.726646 0.469380 0.984463 H\n0.773354 0.969380 0.515537 H\n0.273354 0.530620 0.015537 H\n0.183696 0.060085 0.398420 H\n0.683696 0.439915 0.898420 H\n0.816304 0.939915 0.601580 H\n0.316304 0.560085 0.101580 H\n0.189482 0.735416 0.566060 H\n0.689482 0.764584 0.066060 H\n0.810518 0.264584 0.433940 H\n0.310518 0.235416 0.933940 H\n0.017827 0.833900 0.548800 H\n0.517827 0.666100 0.048800 H\n0.982173 0.166100 0.451200 H\n0.482173 0.333900 0.951200 H\n0.762639 0.840863 0.293493 H\n0.262639 0.659137 0.793493 H\n0.237361 0.159137 0.706507 H\n0.737361 0.340863 0.206507 H\n0.869942 0.993757 0.307256 H\n0.369942 0.506243 0.807256 H\n0.130058 0.006243 0.692744 H\n0.630058 0.493757 0.192744 H\n0.309719 0.823630 0.287655 H\n0.809719 0.676370 0.787655 H\n0.690281 0.176370 0.712345 H\n0.190281 0.323630 0.212345 H\n0.151937 0.930185 0.264765 H\n0.651937 0.569815 0.764765 H\n0.848063 0.069815 0.735235 H\n0.348063 0.430185 0.235235 H\n0.794344 0.577072 0.458187 H\n0.294344 0.922928 0.958187 H\n0.205656 0.422928 0.541813 H\n0.705656 0.077072 0.041813 H\n0.716378 0.597898 0.374275 H\n0.216378 0.902102 0.874275 H\n0.283622 0.402102 0.625725 H\n0.783622 0.097898 0.125725 H\n0.263423 0.432249 0.418405 H\n0.763423 0.067751 0.918405 H\n0.736577 0.567751 0.581595 H\n0.236577 0.932249 0.081595 H\n0.075130 0.402173 0.433075 H\n0.575130 0.097827 0.933075 H\n0.924870 0.597827 0.566925 H\n0.424870 0.902173 0.066925 H\n0.007379 0.486399 0.279670 H\n0.507379 0.013601 0.779670 H\n0.992621 0.513601 0.720330 H\n0.492621 0.986399 0.220330 H\n0.024840 0.639439 0.236800 H\n0.524840 0.860561 0.736800 H\n0.975160 0.360561 0.763200 H\n0.475160 0.139439 0.263200 H\n0.419379 0.945818 0.583070 H\n0.919379 0.554182 0.083070 H\n0.580621 0.054182 0.416930 H\n0.080621 0.445818 0.916930 H\n0.294751 0.070723 0.603707 H\n0.794751 0.429277 0.103707 H\n0.705249 0.929277 0.396293 H\n0.205249 0.570723 0.896293 H\n0.973227 0.216296 0.266496 Br\n0.473227 0.283704 0.766496 Br\n0.026773 0.783704 0.733504 Br\n0.526773 0.716296 0.233504 Br\n0.496003 0.702455 0.622327 Br\n0.996003 0.797545 0.122327 Br\n0.503997 0.297545 0.377673 Br\n0.003997 0.202455 0.877673 Br\n0.391470 0.731762 0.440482 O\n0.891470 0.768238 0.940482 O\n0.608530 0.268238 0.559518 O\n0.108530 0.231762 0.059518 O\n0.134375 0.021866 0.439661 O\n0.634375 0.478134 0.939661 O\n0.865625 0.978134 0.560339 O\n0.365625 0.521866 0.060339 O\n0.076133 0.742586 0.533682 O\n0.576133 0.757414 0.033682 O\n0.923867 0.257414 0.466318 O\n0.423867 0.242586 0.966318 O\n0.842851 0.898282 0.331049 O\n0.342851 0.601718 0.831049 O\n0.157149 0.101718 0.668951 O\n0.657149 0.398282 0.168951 O\n0.222628 0.882350 0.307620 O\n0.722628 0.617650 0.807620 O\n0.777372 0.117650 0.692380 O\n0.277372 0.382350 0.192380 O\n0.815496 0.622493 0.412170 O\n0.315496 0.877507 0.912170 O\n0.184504 0.377507 0.587830 O\n0.684504 0.122493 0.087830 O\n0.170689 0.475674 0.440930 O\n0.670689 0.024326 0.940930 O\n0.829311 0.524326 0.559070 O\n0.329311 0.975674 0.059070 O\n0.026491 0.595892 0.285715 O\n0.526491 0.904108 0.785715 O\n0.973509 0.404108 0.714285 O\n0.473509 0.095892 0.214285 O\n0.367665 0.045136 0.566947 O\n0.867665 0.454864 0.066947 O\n0.632335 0.954864 0.433053 O\n0.132335 0.545136 0.933053 O\n",
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{
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{
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}