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"structure_string": "B2 H12 N2\n1.0\n5.360421 0.000000 0.000000\n0.000000 4.975483 0.000000\n0.000000 0.000000 4.727991\nB H N\n2 12 2\ndirect\n0.500000 0.188687 0.675622 B\n0.000000 0.688686 0.324378 B\n0.500000 0.162013 0.416859 H\n0.500000 0.543312 0.955187 H\n0.000000 0.043312 0.044813 H\n0.812139 0.588626 0.222314 H\n0.187861 0.588626 0.222314 H\n0.844392 0.095564 0.342799 H\n0.155608 0.095564 0.342799 H\n0.000000 0.662013 0.583141 H\n0.655608 0.595564 0.657201 H\n0.344392 0.595564 0.657201 H\n0.687861 0.088626 0.777686 H\n0.312139 0.088626 0.777686 H\n0.500000 0.502808 0.741624 N\n0.000000 0.002808 0.258376 N\n",
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{
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