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{
"id": "mp-1194622",
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{
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{
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"structure_string": "Ba8 Cu4 Si42\n1.0\n7.355737 -7.361431 0.000000\n7.355737 7.361431 0.000000\n0.000000 0.000000 10.371792\nBa Cu Si\n8 4 42\ndirect\n0.497877 0.002268 0.250000 Ba\n0.002268 0.497877 0.750000 Ba\n0.741670 0.490999 0.250000 Ba\n0.490999 0.741670 0.750000 Ba\n0.009736 0.009736 0.500000 Ba\n0.258934 0.489600 0.250000 Ba\n0.489600 0.258934 0.750000 Ba\n0.009736 0.009736 0.000000 Ba\n0.499661 0.499661 0.500000 Cu\n0.250367 0.000645 0.750000 Cu\n0.000645 0.250367 0.250000 Cu\n0.499661 0.499661 0.000000 Cu\n0.500610 0.688289 0.369258 Si\n0.616367 0.999694 0.556297 Si\n0.807162 0.883723 0.250000 Si\n0.500521 0.309619 0.129410 Si\n0.377859 0.999779 0.937137 Si\n0.188176 0.123584 0.250000 Si\n0.500521 0.309619 0.370590 Si\n0.377859 0.999779 0.562863 Si\n0.500610 0.688289 0.130742 Si\n0.616367 0.999694 0.943703 Si\n0.813532 0.122590 0.250000 Si\n0.193986 0.881704 0.250000 Si\n0.688289 0.500610 0.869258 Si\n0.999694 0.616367 0.056297 Si\n0.883723 0.807162 0.750000 Si\n0.309619 0.500521 0.629410 Si\n0.999779 0.377859 0.437137 Si\n0.123584 0.188176 0.750000 Si\n0.309619 0.500521 0.870590 Si\n0.999779 0.377859 0.062863 Si\n0.688289 0.500610 0.630742 Si\n0.999694 0.616367 0.443703 Si\n0.122590 0.813532 0.750000 Si\n0.881704 0.193986 0.750000 Si\n0.684309 0.813832 0.433160 Si\n0.315856 0.183717 0.066002 Si\n0.315856 0.183717 0.433998 Si\n0.684309 0.813832 0.066840 Si\n0.685812 0.184646 0.067224 Si\n0.317423 0.814906 0.434927 Si\n0.317423 0.814906 0.065073 Si\n0.685812 0.184646 0.432776 Si\n0.813832 0.684309 0.933160 Si\n0.183717 0.315856 0.566002 Si\n0.183717 0.315856 0.933998 Si\n0.813832 0.684309 0.566840 Si\n0.184646 0.685812 0.567224 Si\n0.814906 0.317423 0.934927 Si\n0.814906 0.317423 0.565073 Si\n0.184646 0.685812 0.932776 Si\n0.747289 0.000621 0.750000 Si\n0.000621 0.747289 0.250000 Si\n",
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{
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"structure_string": "Yb1 U2 S3 O2\n1.0\n-1.896204 1.896204 10.463722\n1.896204 -1.896204 10.463722\n1.896204 1.896204 -10.463722\nYb U S O\n1 2 3 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.314991 0.314991 0.000000 U\n0.685009 0.685009 0.000000 U\n0.133019 0.133019 0.000000 S\n0.866981 0.866981 0.000000 S\n0.500000 0.500000 0.000000 S\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
"id": "mp-1198890",
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"structure_string": "K2 B42 H36\n1.0\n0.000000 -7.604422 0.000000\n-6.672711 3.802211 0.486808\n0.154093 0.000000 -17.546776\nK B H\n2 42 36\ndirect\n0.926219 0.000000 0.000000 K\n0.130220 0.000000 0.500000 K\n0.465917 0.302585 0.264427 B\n0.163333 0.697415 0.735573 B\n0.713062 0.494701 0.235694 B\n0.218361 0.505299 0.764306 B\n0.670292 0.244183 0.250849 B\n0.426109 0.755817 0.749151 B\n0.912160 0.466818 0.289800 B\n0.445341 0.533182 0.710200 B\n0.506941 0.154958 0.336836 B\n0.351983 0.845042 0.663164 B\n0.580122 0.565351 0.311965 B\n0.014771 0.434649 0.688035 B\n0.812513 0.372591 0.164708 B\n0.439922 0.627409 0.835292 B\n0.409804 0.056451 0.212015 B\n0.353353 0.943549 0.787985 B\n0.476760 0.464485 0.186892 B\n0.012275 0.535515 0.813108 B\n0.452995 0.350272 0.365205 B\n0.102723 0.649728 0.634795 B\n0.845672 0.653408 0.319670 B\n0.192264 0.346592 0.680330 B\n0.774946 0.254734 0.343971 B\n0.520213 0.745266 0.656029 B\n0.302145 0.201350 0.180304 B\n0.100795 0.798650 0.819696 B\n0.693971 0.507710 0.134374 B\n0.186261 0.492290 0.865626 B\n0.628427 0.111644 0.158516 B\n0.516784 0.888356 0.841484 B\n0.882393 0.507507 0.386796 B\n0.374886 0.492493 0.613204 B\n0.644164 0.323348 0.414491 B\n0.320816 0.676652 0.585509 B\n0.687820 0.565042 0.399901 B\n0.122778 0.434958 0.600099 B\n0.639195 0.270649 0.086823 B\n0.368546 0.729351 0.913177 B\n0.402181 0.085935 0.114843 B\n0.316245 0.914065 0.885157 B\n0.442497 0.324894 0.099979 B\n0.117603 0.675106 0.900021 B\n0.076296 0.510203 0.269671 H\n0.566094 0.489797 0.730329 H\n0.391755 0.986956 0.349071 H\n0.404799 0.013044 0.650929 H\n0.515419 0.675719 0.306555 H\n0.839699 0.324281 0.693445 H\n0.985663 0.429146 0.154189 H\n0.556517 0.570854 0.845811 H\n0.309267 0.894220 0.233387 H\n0.415048 0.105780 0.766613 H\n0.420278 0.583395 0.190964 H\n0.836883 0.416605 0.809036 H\n0.294071 0.312219 0.392350 H\n0.981853 0.687781 0.607650 H\n0.964984 0.828174 0.317107 H\n0.136810 0.171826 0.682893 H\n0.844175 0.150220 0.357243 H\n0.693955 0.849780 0.642757 H\n0.124012 0.140417 0.182294 H\n0.983595 0.859583 0.817706 H\n0.791179 0.662181 0.105448 H\n0.128998 0.337819 0.894552 H\n0.678784 0.987380 0.146927 H\n0.691404 0.012620 0.853073 H\n0.033006 0.580852 0.426366 H\n0.452154 0.419148 0.573634 H\n0.615067 0.254059 0.475048 H\n0.361008 0.745941 0.524952 H\n0.693266 0.681750 0.449597 H\n0.011516 0.318250 0.550403 H\n0.705571 0.262943 0.025673 H\n0.442629 0.737057 0.974327 H\n0.288699 0.938611 0.075529 H\n0.350088 0.061389 0.924471 H\n0.362325 0.357961 0.048480 H\n0.004365 0.642039 0.951520 H\n",
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{
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{
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