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"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
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