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            "structure_string": "Ni2 H12 S4 N4 O16\n1.0\n-7.008717 0.000000 1.715631\n0.668199 0.000000 -7.776333\n0.000000 -13.600966 0.000000\nNi H S N O\n2 12 4 4 16\ndirect\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.475226 0.009383 0.888165 H\n0.524774 0.990617 0.111835 H\n0.524774 0.490617 0.388165 H\n0.475226 0.509383 0.611835 H\n0.618996 0.894602 0.956012 H\n0.381004 0.105398 0.043988 H\n0.381004 0.605398 0.456012 H\n0.618996 0.394602 0.543988 H\n0.405524 0.571332 0.584594 H\n0.594476 0.428668 0.415406 H\n0.594476 0.928668 0.084594 H\n0.405524 0.071332 0.915406 H\n0.714098 0.592289 0.880928 S\n0.285902 0.407711 0.119072 S\n0.285902 0.907711 0.380928 S\n0.714098 0.092289 0.619072 S\n0.887203 0.709776 0.184073 N\n0.112797 0.290224 0.815927 N\n0.112797 0.790224 0.684073 N\n0.887203 0.209776 0.315927 N\n0.029230 0.636650 0.695338 O\n0.970770 0.363350 0.304662 O\n0.970770 0.863350 0.195338 O\n0.029230 0.136650 0.804662 O\n0.655197 0.907514 0.585857 O\n0.344803 0.092486 0.414143 O\n0.344803 0.592486 0.085857 O\n0.655197 0.407514 0.914143 O\n0.599731 0.645037 0.807592 O\n0.400269 0.354963 0.192408 O\n0.400269 0.854963 0.307592 O\n0.599731 0.145037 0.692408 O\n0.882704 0.722764 0.923431 O\n0.117296 0.277236 0.076569 O\n0.117296 0.777236 0.423431 O\n0.882704 0.222764 0.576569 O\n",
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            "structure_string": "Al28 Si12 B4 O72\n1.0\n4.797734 0.000000 0.000000\n0.000000 11.850262 0.000000\n0.000000 0.000000 20.273122\nAl Si B O\n28 12 4 72\ndirect\n0.889608 0.250000 0.249624 Al\n0.389608 0.250000 0.250376 Al\n0.110392 0.750000 0.750376 Al\n0.610392 0.750000 0.749624 Al\n0.058816 0.389885 0.472207 Al\n0.558816 0.110115 0.027793 Al\n0.941184 0.889885 0.527793 Al\n0.441184 0.610115 0.972207 Al\n0.941184 0.610115 0.527793 Al\n0.441184 0.889885 0.972207 Al\n0.058816 0.110115 0.472207 Al\n0.558816 0.389885 0.027793 Al\n0.559754 0.508625 0.430616 Al\n0.059754 0.991375 0.069384 Al\n0.440246 0.008625 0.569384 Al\n0.940246 0.491375 0.930616 Al\n0.440246 0.491375 0.569384 Al\n0.940246 0.008625 0.930616 Al\n0.559754 0.991375 0.430616 Al\n0.059754 0.508625 0.069384 Al\n0.554082 0.643538 0.287057 Al\n0.054082 0.856462 0.212943 Al\n0.445918 0.143538 0.712943 Al\n0.945918 0.356462 0.787057 Al\n0.445918 0.356462 0.712943 Al\n0.945918 0.143538 0.787057 Al\n0.554082 0.856462 0.287057 Al\n0.054082 0.643538 0.212943 Al\n0.589036 0.250000 0.403742 Si\n0.089036 0.250000 0.096258 Si\n0.410964 0.750000 0.596258 Si\n0.910964 0.750000 0.903742 Si\n0.086987 0.474498 0.327539 Si\n0.586987 0.025502 0.172461 Si\n0.913013 0.974498 0.672461 Si\n0.413013 0.525502 0.827539 Si\n0.913013 0.525502 0.672461 Si\n0.413013 0.974498 0.827539 Si\n0.086987 0.025502 0.327539 Si\n0.586987 0.474498 0.172461 Si\n0.722625 0.750000 0.416070 B\n0.222625 0.750000 0.083930 B\n0.277375 0.250000 0.583930 B\n0.777375 0.250000 0.916070 B\n0.642661 0.250000 0.323035 O\n0.142661 0.250000 0.176965 O\n0.357339 0.750000 0.676965 O\n0.857339 0.750000 0.823035 O\n0.140176 0.357115 0.285781 O\n0.640176 0.142885 0.214219 O\n0.859824 0.857115 0.714219 O\n0.359824 0.642885 0.785781 O\n0.859824 0.642885 0.714219 O\n0.359824 0.857115 0.785781 O\n0.140176 0.142885 0.285781 O\n0.640176 0.357115 0.214219 O\n0.397789 0.360384 0.423601 O\n0.897789 0.139616 0.076399 O\n0.602211 0.860384 0.576399 O\n0.102211 0.639616 0.923601 O\n0.602211 0.639616 0.576399 O\n0.102211 0.860384 0.923601 O\n0.397789 0.139616 0.423601 O\n0.897789 0.360384 0.076399 O\n0.896645 0.448616 0.392973 O\n0.396645 0.051384 0.107027 O\n0.103355 0.948616 0.607027 O\n0.603355 0.551384 0.892973 O\n0.103355 0.551384 0.607027 O\n0.603355 0.948616 0.892973 O\n0.896645 0.051384 0.392973 O\n0.396645 0.448616 0.107027 O\n0.896119 0.561688 0.282789 O\n0.396119 0.938312 0.217211 O\n0.103881 0.061688 0.717211 O\n0.603881 0.438312 0.782789 O\n0.103881 0.438312 0.717211 O\n0.603881 0.061688 0.782789 O\n0.896119 0.938312 0.282789 O\n0.396119 0.561688 0.217211 O\n0.877544 0.250000 0.452314 O\n0.377544 0.250000 0.047686 O\n0.122456 0.750000 0.547686 O\n0.622456 0.750000 0.952314 O\n0.379065 0.543439 0.348901 O\n0.879065 0.956561 0.151099 O\n0.620935 0.043439 0.651099 O\n0.120935 0.456561 0.848901 O\n0.620935 0.456561 0.651099 O\n0.120935 0.043439 0.848901 O\n0.379065 0.956561 0.348901 O\n0.879065 0.543439 0.151099 O\n0.260984 0.750000 0.270713 O\n0.760984 0.750000 0.229287 O\n0.739016 0.250000 0.729287 O\n0.239016 0.250000 0.770713 O\n0.649663 0.750000 0.351431 O\n0.149663 0.750000 0.148569 O\n0.350337 0.250000 0.648569 O\n0.850337 0.250000 0.851431 O\n0.755606 0.648605 0.448112 O\n0.255606 0.851395 0.051888 O\n0.244394 0.148605 0.551888 O\n0.744394 0.351395 0.948112 O\n0.244394 0.351395 0.551888 O\n0.744394 0.148605 0.948112 O\n0.755606 0.851395 0.448112 O\n0.255606 0.648605 0.051888 O\n0.250408 0.533785 0.487938 O\n0.750408 0.966215 0.012062 O\n0.749592 0.033785 0.512062 O\n0.249592 0.466215 0.987938 O\n0.749592 0.466215 0.512062 O\n0.249592 0.033785 0.987938 O\n0.250408 0.966215 0.487938 O\n0.750408 0.533785 0.012062 O\n",
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