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"structure_string": "Ca1 N2\n1.0\n4.240799 0.000000 0.360691\n0.000000 3.412890 0.000000\n0.202927 0.000000 3.274484\nCa N\n1 2\ndirect\n0.466665 0.000000 -0.200003 Ca\n-0.141371 0.000000 0.197375 N\n0.074707 0.000000 0.402628 N\n",
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