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"structure_string": "C1 Br1\n1.0\n3.900760 -0.000000 0.000000\n-1.950380 3.378157 -0.000000\n0.000000 0.000000 3.286135\nC Br\n1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n",
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{
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{
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