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            "structure_string": "Ba1 Ga2 Br1\n1.0\n4.234083 0.000000 -0.000000\n-0.000000 4.234083 0.000000\n-0.000000 -0.000000 6.818378\nBa Ga Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.686117 Ga\n0.000000 0.000000 0.313883 Ga\n0.500000 0.500000 0.500000 Br\n",
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