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"structure_string": "I1 Br2\n1.0\n7.374678 0.000000 0.000000\n0.000000 3.099885 0.000000\n0.000000 0.000000 5.333502\nI Br\n1 2\ndirect\n0.466619 0.000000 0.000000 I\n-0.033309 0.000000 0.748578 Br\n-0.033309 0.000000 0.251422 Br\n",
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