4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-5.726729887193903 stress="0.4239598822997065 0.05707174754308172 -0.06832672985074004 0.05707174754308172 0.43086144246094255 -0.10196141890917015 -0.06832672985074004 -0.10196141890917015 0.330467968943886" free_energy=-5.726729887193903 pbc="T T F"
H        0.10414746      -0.17676805       0.29941889      -1.33018701      -3.60098918      -0.13341140
B        1.47054765       1.68259565       0.06013337       0.04608531       1.45614499       5.68738213
N        1.66039283       0.34821312       1.70352043       1.92730972       3.23812129      -2.67377869
O        0.04996541       1.76267270       1.62136930      -0.64320803      -1.09327710      -2.88019204