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{
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{
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"structure_string": "Sc20 Si12 N36\n1.0\n7.356452 0.165441 0.000000\n-7.702814 7.184715 0.000000\n0.000000 0.000000 14.665673\nSc Si N\n20 12 36\ndirect\n0.000000 0.506987 0.832427 Sc\n0.000000 0.493013 0.167573 Sc\n0.000000 0.993013 0.332427 Sc\n0.000000 0.006987 0.667573 Sc\n0.371220 0.964470 0.866426 Sc\n0.371220 0.406750 0.133574 Sc\n0.371220 0.906750 0.366426 Sc\n0.371220 0.464470 0.633574 Sc\n0.628780 0.035530 0.133574 Sc\n0.628780 0.593250 0.866426 Sc\n0.628780 0.093250 0.633574 Sc\n0.628780 0.535530 0.366426 Sc\n0.000000 0.509522 0.603490 Sc\n0.000000 0.490478 0.396510 Sc\n0.000000 0.990478 0.103490 Sc\n0.000000 0.009522 0.896510 Sc\n0.555173 0.277586 0.000000 Sc\n0.555173 0.777586 0.500000 Sc\n0.444827 0.722414 0.000000 Sc\n0.444827 0.222414 0.500000 Sc\n0.000000 0.753346 0.014970 Si\n0.000000 0.246654 0.985030 Si\n0.000000 0.746654 0.514970 Si\n0.000000 0.253346 0.485030 Si\n0.000000 0.245842 0.778071 Si\n0.000000 0.754158 0.221929 Si\n0.000000 0.254158 0.278071 Si\n0.000000 0.745842 0.721929 Si\n0.500000 0.790869 0.750000 Si\n0.500000 0.709131 0.250000 Si\n0.500000 0.209131 0.250000 Si\n0.500000 0.290869 0.750000 Si\n0.000000 0.364287 0.695823 N\n0.000000 0.635713 0.304177 N\n0.000000 0.135713 0.195823 N\n0.000000 0.864287 0.804177 N\n0.000000 0.312946 0.881332 N\n0.000000 0.687054 0.118668 N\n0.000000 0.187054 0.381332 N\n0.000000 0.812946 0.618668 N\n0.748118 0.521372 0.741596 N\n0.748118 0.226745 0.258404 N\n0.748118 0.726745 0.241596 N\n0.748118 0.021372 0.758404 N\n0.251882 0.478628 0.258404 N\n0.251882 0.773255 0.741596 N\n0.251882 0.273255 0.758404 N\n0.251882 0.978628 0.241596 N\n0.540765 0.230353 0.851166 N\n0.540765 0.310411 0.148834 N\n0.540765 0.810411 0.351166 N\n0.540765 0.730353 0.648834 N\n0.459235 0.769647 0.148834 N\n0.459235 0.689589 0.851166 N\n0.459235 0.189589 0.648834 N\n0.459235 0.269647 0.351166 N\n0.260153 0.991380 0.999911 N\n0.260153 0.268775 0.000089 N\n0.260153 0.768775 0.499911 N\n0.260153 0.491380 0.500089 N\n0.739847 0.008620 0.000089 N\n0.739847 0.731225 0.999911 N\n0.739847 0.231225 0.500089 N\n0.739847 0.508620 0.499911 N\n0.000000 0.637214 0.934380 N\n0.000000 0.362786 0.065620 N\n0.000000 0.862786 0.434380 N\n0.000000 0.137214 0.565620 N\n",
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{
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"structure_string": "Tb12 Si4 Br12\n1.0\n-5.832973 5.832973 5.832973\n5.832973 -5.832973 5.832973\n5.832973 5.832973 -5.832973\nTb Si Br\n12 4 12\ndirect\n0.262581 0.012581 0.025163 Tb\n0.025163 0.262581 0.012581 Tb\n0.487419 0.750000 0.012581 Tb\n0.750000 0.237419 0.262581 Tb\n0.012581 0.025163 0.262581 Tb\n0.012581 0.487419 0.750000 Tb\n0.237419 0.262581 0.750000 Tb\n0.262581 0.750000 0.237419 Tb\n0.237419 0.474837 0.487419 Tb\n0.474837 0.487419 0.237419 Tb\n0.750000 0.012581 0.487419 Tb\n0.487419 0.237419 0.474837 Tb\n0.000000 0.250000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.250000 0.250000 0.250000 Si\n0.754626 0.745374 0.250000 Br\n0.504626 0.250000 0.995374 Br\n0.250000 0.995374 0.504626 Br\n0.509251 0.504626 0.754626 Br\n0.995374 0.990749 0.745374 Br\n0.745374 0.995374 0.990749 Br\n0.504626 0.754626 0.509251 Br\n0.754626 0.509251 0.504626 Br\n0.995374 0.504626 0.250000 Br\n0.990749 0.745374 0.995374 Br\n0.250000 0.754626 0.745374 Br\n0.745374 0.250000 0.754626 Br\n",
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{
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"structure_string": "Al8 Fe12 Si12 O48\n1.0\n-5.833006 5.833006 5.833006\n5.833006 -5.833006 5.833006\n5.833006 5.833006 -5.833006\nAl Fe Si O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.750000 0.625000 0.875000 Fe\n0.250000 0.875000 0.625000 Fe\n0.625000 0.250000 0.875000 Fe\n0.875000 0.750000 0.625000 Fe\n0.875000 0.625000 0.250000 Fe\n0.625000 0.875000 0.750000 Fe\n0.250000 0.375000 0.125000 Fe\n0.750000 0.125000 0.375000 Fe\n0.375000 0.750000 0.125000 Fe\n0.125000 0.250000 0.375000 Fe\n0.125000 0.375000 0.750000 Fe\n0.375000 0.125000 0.250000 Fe\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.581740 0.895301 0.381319 O\n0.381319 0.581740 0.895301 O\n0.299579 0.313561 0.918260 O\n0.486018 0.604699 0.186439 O\n0.313561 0.895301 0.013982 O\n0.118681 0.013982 0.200421 O\n0.381319 0.299579 0.486018 O\n0.895301 0.381319 0.581740 O\n0.186439 0.200421 0.581740 O\n0.486018 0.381319 0.299579 O\n0.895301 0.013982 0.313561 O\n0.604699 0.918260 0.118681 O\n0.918260 0.118681 0.604699 O\n0.299579 0.486018 0.381319 O\n0.581740 0.186439 0.200421 O\n0.200421 0.581740 0.186439 O\n0.013982 0.313561 0.895301 O\n0.918260 0.299579 0.313561 O\n0.013982 0.200421 0.118681 O\n0.813561 0.799579 0.418260 O\n0.186439 0.486018 0.604699 O\n0.604699 0.186439 0.486018 O\n0.200421 0.118681 0.013982 O\n0.118681 0.604699 0.918260 O\n0.418260 0.104699 0.618681 O\n0.618681 0.418260 0.104699 O\n0.700421 0.686439 0.081740 O\n0.513982 0.395301 0.813561 O\n0.686439 0.104699 0.986018 O\n0.881319 0.986018 0.799579 O\n0.618681 0.700421 0.513982 O\n0.104699 0.618681 0.418260 O\n0.881319 0.395301 0.081740 O\n0.799579 0.881319 0.986018 O\n0.395301 0.813561 0.513982 O\n0.686439 0.081740 0.700421 O\n0.813561 0.513982 0.395301 O\n0.986018 0.799579 0.881319 O\n0.081740 0.700421 0.686439 O\n0.986018 0.686439 0.104699 O\n0.799579 0.418260 0.813561 O\n0.418260 0.813561 0.799579 O\n0.700421 0.513982 0.618681 O\n0.081740 0.881319 0.395301 O\n0.395301 0.081740 0.881319 O\n0.104699 0.986018 0.686439 O\n0.513982 0.618681 0.700421 O\n0.313561 0.918260 0.299579 O\n",
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{
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{
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{
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