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"structure_string": "P2 H8 Br2\n1.0\n5.972855 0.000000 0.000000\n0.000000 5.972855 -0.000000\n0.000000 -0.000000 4.345815\nP H Br\n2 8 2\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.691819 0.808833 H\n0.808183 0.000000 0.808833 H\n0.000000 0.191818 0.191166 H\n0.691819 0.500000 0.191166 H\n0.308182 0.500000 0.191166 H\n0.000000 0.808183 0.191166 H\n0.500000 0.308182 0.808833 H\n0.191818 0.000000 0.808833 H\n0.500000 0.000000 0.388788 Br\n0.000000 0.500000 0.611211 Br\n",
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"structure_string": "Cl1 O2\n1.0\n4.148084 -0.001588 -0.031524\n-0.947804 -2.713749 0.073003\n-0.298096 -1.483928 -4.002180\nCl O\n1 2\ndirect\n-0.054643 0.911099 0.001704 Cl\n0.572554 0.684333 0.098008 O\n0.033557 0.131560 0.638584 O\n",
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"structure_string": "O2\n1.0\n2.257961 0.359192 -0.675767\n-0.612938 2.204547 -0.668334\n0.007323 0.007674 4.146709\nO\n2\ndirect\n0.903811 0.913287 0.825408 O\n0.066315 0.074452 0.149136 O\n",
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