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"structure_string": "Ba4 Fe1 Br1\n1.0\n0.000000 4.985081 4.985081\n4.985081 0.000000 4.985081\n4.985081 4.985081 -0.000000\nBa Fe Br\n4 1 1\ndirect\n0.123488 0.625504 0.625504 Ba\n0.625504 0.625504 0.625504 Ba\n0.625504 0.123488 0.625504 Ba\n0.625504 0.625504 0.123488 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Br\n",
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