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"structure_string": "B1 C1 N2\n1.0\n2.439354 0.000000 0.000000\n0.000000 2.439354 0.000000\n-0.000000 0.000000 3.973527\nB C N\n1 1 2\ndirect\n0.499999 0.499999 0.564399 B\n0.000000 0.000000 0.070573 C\n0.000000 0.000000 0.429365 N\n0.499999 0.499999 0.945664 N\n",
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{
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