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"structure_string": "Ba1 Mo2 Br1\n1.0\n3.317384 0.000000 0.000000\n0.000000 4.800529 0.000000\n0.000000 0.000000 6.383625\nBa Mo Br\n1 2 1\ndirect\n0.499999 0.500000 0.000000 Ba\n0.000000 0.000000 0.665877 Mo\n0.000000 0.000000 0.334123 Mo\n0.499999 0.500000 0.500000 Br\n",
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