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"structure_string": "Ba1 H1 Br2\n1.0\n4.685715 0.000000 0.000000\n0.000000 4.685715 0.000000\n-0.000000 0.000000 6.199613\nBa H Br\n1 1 2\ndirect\n0.500001 0.500001 0.502429 Ba\n0.000000 0.000000 0.002414 H\n0.000000 0.000000 0.502728 Br\n0.500001 0.500001 0.002427 Br\n",
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