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"structure_string": "B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n",
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{
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