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"structure_string": "B1 Br2\n1.0\n4.033825 0.000000 0.000000\n0.000000 3.853084 0.000000\n0.000000 0.000000 6.927600\nB Br\n1 2\ndirect\n0.288971 0.000000 0.000000 B\n0.055515 0.000000 0.763439 Br\n0.055515 0.000000 0.236562 Br\n",
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