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{
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"structure_string": "B1 C1 N2\n1.0\n1.312367 0.757695 4.439640\n-1.312367 0.757695 4.439640\n0.000000 -1.515391 4.439640\nB C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 B\n0.500001 0.500001 0.499998 C\n0.403662 0.403662 0.403660 N\n0.596340 0.596340 0.596336 N\n",
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{
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{
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