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=-8.188625171135435 stress="0.2673686705659919 -0.1144834610679345 -0.19415722587969533 -0.1144834610679345 0.2817127461089209 -0.10364118646734903 -0.19415722587969533 -0.10364118646734903 0.2758662367266487" free_energy=-8.188625171135435 pbc="F F T"
H        0.11010879       0.23529665      -0.06984443      -0.99437599       2.31046024      -2.84093637
O        1.37956715       1.63384353      -0.01199993      -3.15703021      -1.31371813       3.11967763
N        1.21379484       0.17612710       1.55630779      -2.33080205       3.87659275       1.04346135
B        0.01156787       1.37200743       1.20860601       6.48220825      -4.87333486      -1.32220261