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"structure_string": "Mg1 Br1\n1.0\n1.845609 -3.196693 0.000000\n1.845609 3.196693 0.000000\n0.000000 0.000000 4.186157\nMg Br\n1 1\ndirect\n0.333334 0.666667 0.250000 Mg\n0.666667 0.333334 0.750000 Br\n",
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{
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