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"structure_string": "Sc1 N1\n1.0\n2.778556 -0.000000 0.000000\n0.000000 2.778556 -0.000000\n0.000000 0.000000 2.778556\nSc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 N\n",
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