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"structure_string": "Bi4 I12 O36\n1.0\n5.905852 0.000000 0.000000\n0.000000 8.816784 -1.099238\n0.000000 -0.010333 15.247373\nBi I O\n4 12 36\ndirect\n0.729569 0.957965 0.601503 Bi\n0.770430 0.457965 0.101503 Bi\n0.229569 0.542035 0.898497 Bi\n0.270431 0.042035 0.398497 Bi\n0.813125 0.777186 0.349556 I\n0.098322 0.383930 0.298692 I\n0.901678 0.616070 0.701308 I\n0.144835 0.163194 0.022818 I\n0.644835 0.336806 0.477182 I\n0.598322 0.116070 0.201308 I\n0.355165 0.663194 0.522818 I\n0.686874 0.277187 0.849556 I\n0.186874 0.222813 0.650443 I\n0.313125 0.722813 0.150443 I\n0.855165 0.836806 0.977182 I\n0.401678 0.883930 0.798692 I\n0.385973 0.068747 0.671484 O\n0.908958 0.087751 0.947212 O\n0.408958 0.412249 0.552788 O\n0.091042 0.912249 0.052788 O\n0.591042 0.587751 0.447212 O\n0.093037 0.357577 0.992287 O\n0.593036 0.142423 0.507713 O\n0.906963 0.642422 0.007713 O\n0.406963 0.857577 0.492287 O\n0.885973 0.431254 0.828515 O\n0.311202 0.085779 0.243416 O\n0.443562 0.353473 0.792555 O\n0.811201 0.414221 0.256584 O\n0.688798 0.914221 0.756584 O\n0.188798 0.585779 0.743415 O\n0.595016 0.949462 0.116726 O\n0.095016 0.550537 0.383274 O\n0.404983 0.050538 0.883274 O\n0.904983 0.449463 0.616726 O\n0.495933 0.263153 0.133529 O\n-0.004067 0.236847 0.366470 O\n0.504067 0.736847 0.866470 O\n0.614027 0.931253 0.328515 O\n0.004067 0.763153 0.633529 O\n0.472304 0.283613 0.376410 O\n0.027696 0.783613 0.876410 O\n0.527695 0.716386 0.623590 O\n0.919249 0.860129 0.458534 O\n0.419249 0.639870 0.041466 O\n0.080751 0.139871 0.541466 O\n0.580751 0.360130 0.958534 O\n0.056438 0.853473 0.292555 O\n0.556438 0.646527 0.207444 O\n0.943562 0.146527 0.707444 O\n0.972304 0.216386 0.123590 O\n0.114027 0.568746 0.171484 O\n",
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"structure_string": "H16 C30 S4 O2\n1.0\n3.814037 0.031908 -0.059447\n-0.009299 10.319767 4.876155\n-0.254566 -0.012311 13.382197\nH C S O\n16 30 4 2\ndirect\n0.508198 0.714557 0.450652 H\n0.817773 0.624184 0.631416 H\n0.016496 0.837063 0.449949 H\n0.511709 0.336629 0.450744 H\n0.309841 0.745989 0.632034 H\n0.805044 0.245627 0.632829 H\n0.684139 0.907184 0.308111 H\n0.183027 0.407130 0.308254 H\n0.313440 0.123833 0.632108 H\n0.442843 0.123989 0.962933 H\n0.378879 0.045567 0.119802 H\n0.878114 0.545571 0.119873 H\n0.638515 0.673997 0.774506 H\n0.137383 0.173905 0.774651 H\n0.003855 0.214217 0.451344 H\n0.943610 0.624065 0.962863 H\n0.410972 0.333187 0.041365 C\n0.574618 0.400463 0.490126 C\n0.077269 0.900693 0.489694 C\n0.744299 0.349002 0.593080 C\n0.246954 0.849205 0.592648 C\n0.484792 0.533400 0.435184 C\n0.575867 0.611535 0.489617 C\n0.836575 0.427209 0.647621 C\n0.336824 0.927206 0.647582 C\n0.073702 0.111376 0.489963 C\n0.747916 0.559959 0.592801 C\n0.245754 0.059773 0.593147 C\n0.910965 0.833160 0.041366 C\n0.985038 0.033443 0.435145 C\n0.531684 0.219759 0.140041 C\n0.790161 0.818407 0.942697 C\n0.516092 0.869623 0.755607 C\n0.309908 0.215670 0.913418 C\n0.810424 0.715703 0.913358 C\n0.169638 0.512116 0.273464 C\n0.670361 0.012161 0.273370 C\n0.031677 0.719732 0.140041 C\n0.652002 0.744202 0.809289 C\n0.151270 0.244152 0.809384 C\n0.511825 0.087723 0.169323 C\n0.290164 0.318436 0.942695 C\n0.305580 0.583845 0.327151 C\n0.805841 0.083894 0.327113 C\n0.015828 0.369634 0.755645 C\n0.011309 0.587694 0.169383 C\n0.087416 0.452944 0.836590 S\n0.587100 0.952872 0.836632 S\n0.234724 0.748117 0.246114 S\n0.734418 0.248149 0.246154 S\n0.911029 0.943337 0.041364 O\n0.411036 0.443365 0.041363 O\n",
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