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"structure_string": "Ca1 Fe2 N2\n1.0\n3.504624 0.000000 0.000000\n0.000000 3.504624 0.000000\n0.000000 0.000000 5.951454\nCa Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.499999 0.499999 0.812251 Fe\n0.499999 0.499999 0.187749 Fe\n0.499999 0.000000 0.215681 N\n0.000000 0.499999 0.784318 N\n",
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