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"structure_string": "Ca1 Be1 Br2\n1.0\n3.511315 0.000000 0.000000\n0.000000 3.511315 -0.000000\n0.000000 -0.000000 7.892535\nCa Be Br\n1 1 2\ndirect\n0.500001 0.500001 0.638919 Ca\n0.000000 0.000000 0.906273 Be\n0.000000 0.000000 0.424739 Br\n0.500001 0.500001 0.040069 Br\n",
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