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"structure_string": "Ba1 Br1 Cl1\n1.0\n7.780118 -0.000000 -0.000000\n0.000000 7.780118 -0.000000\n-0.000000 -0.000000 10.344961\nBa Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.254185 Ba\n0.000000 0.000000 0.539083 Br\n0.000000 0.000000 -0.014172 Cl\n",
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