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{
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{
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{
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"structure_string": "Th2 H36 S4 O34\n1.0\n12.348874 0.000000 0.000000\n0.000000 7.252978 0.000000\n0.000000 1.103856 8.073399\nTh H S O\n2 36 4 34\ndirect\n0.250000 0.258332 0.222214 Th\n0.750000 0.741668 0.777786 Th\n0.186224 0.043618 0.923559 H\n0.686224 0.956382 0.076441 H\n0.813776 0.956382 0.076441 H\n0.313776 0.043618 0.923559 H\n0.947935 0.698852 0.023154 H\n0.447935 0.301148 0.976846 H\n0.052065 0.301148 0.976846 H\n0.552065 0.698852 0.023154 H\n0.878202 0.515660 0.075394 H\n0.378202 0.484340 0.924606 H\n0.121798 0.484340 0.924606 H\n0.621798 0.515660 0.075394 H\n0.184534 0.684589 0.129834 H\n0.684534 0.315411 0.870166 H\n0.815466 0.315411 0.870166 H\n0.315466 0.684589 0.129834 H\n0.099631 0.539236 0.392355 H\n0.599631 0.460764 0.607645 H\n0.900369 0.460764 0.607645 H\n0.400369 0.539236 0.392355 H\n0.061353 0.335142 0.466299 H\n0.561353 0.664858 0.533701 H\n0.938647 0.664858 0.533701 H\n0.438647 0.335142 0.466299 H\n0.845055 0.375522 0.337204 H\n0.345055 0.624478 0.662796 H\n0.154945 0.624478 0.662796 H\n0.654945 0.375522 0.337204 H\n0.906943 0.231029 0.246652 H\n0.406943 0.768971 0.753348 H\n0.093057 0.768971 0.753348 H\n0.593057 0.231029 0.246652 H\n0.185873 0.061097 0.580230 H\n0.685873 0.938903 0.419770 H\n0.814127 0.938903 0.419770 H\n0.314127 0.061097 0.580230 H\n0.025982 0.889289 0.262037 S\n0.525982 0.110711 0.737963 S\n0.974018 0.110711 0.737963 S\n0.474018 0.889289 0.262037 S\n0.250000 0.044806 0.996772 O\n0.750000 0.955194 0.003228 O\n0.047184 0.760656 0.417695 O\n0.547184 0.239344 0.582305 O\n0.952816 0.239344 0.582305 O\n0.452816 0.760656 0.417695 O\n0.095774 0.059378 0.260933 O\n0.595774 0.940622 0.739067 O\n0.904226 0.940622 0.739067 O\n0.404226 0.059378 0.260933 O\n0.053971 0.796805 0.115993 O\n0.553971 0.203195 0.884007 O\n0.946029 0.203195 0.884007 O\n0.446029 0.796805 0.115993 O\n0.885343 0.626965 0.987376 O\n0.385343 0.373035 0.012624 O\n0.114657 0.373035 0.012624 O\n0.614657 0.626965 0.987376 O\n0.250000 0.606778 0.157393 O\n0.750000 0.393222 0.842607 O\n0.121832 0.406340 0.406295 O\n0.621832 0.593660 0.593705 O\n0.878168 0.593660 0.593705 O\n0.378168 0.406340 0.406295 O\n0.089225 0.049327 0.744578 O\n0.589225 0.950673 0.255422 O\n0.910775 0.950673 0.255422 O\n0.410775 0.049327 0.744578 O\n0.872899 0.354457 0.230087 O\n0.372899 0.645543 0.769913 O\n0.127101 0.645543 0.769913 O\n0.627101 0.354457 0.230087 O\n0.250000 0.065832 0.506602 O\n0.750000 0.934168 0.493398 O\n",
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