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"structure_string": "B1 N1\n1.0\n-2.298536 2.298536 -1.312045\n2.298536 -2.298536 -1.312045\n-2.298536 -2.298536 1.312045\nB N\n1 1\ndirect\n0.595001 0.595001 0.000000 B\n0.095001 0.095001 0.000000 N\n",
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