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"structure_string": "Ba2 H1 Br1\n1.0\n-0.000000 3.898164 3.898164\n3.898164 -0.000000 3.898164\n3.898164 3.898164 0.000000\nBa H Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Br\n",
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