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=-5.831528728288848 stress="0.29059993518931354 0.11405548532851567 0.18198752335002014 0.11405548532851567 0.13632436706166245 0.004955919249557608 0.18198752335002014 0.004955919249557608 0.10708588789061674" free_energy=-5.831528728288848 pbc="F F T"
H        0.36523830       0.17193189      -0.19034930       3.83339386       3.26264037      -0.21446047
N        1.51156787       1.20847268      -0.29139399      -6.43286670      -2.91695035      -5.68012565
O        1.74967036       0.15346966       1.35504595      -0.11976595       0.15053770       1.51058514
C        0.25263109       1.49076391       1.63905187       2.71923878      -0.49622772       4.38400098