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=-5.892765772034026 stress="0.15142712976638617 0.15497252837196104 0.17627634710977616 0.15497252837196104 0.31997530028856636 0.14013372437941043 0.17627634710977616 0.14013372437941043 0.013512037200410986" free_energy=-5.892765772034026 pbc="F T F"
O        0.17842378       0.14553500       0.14594781       3.71462545       0.76674031       0.97546088
C        1.45785282       1.74717822       0.27652831      -0.60620234       1.70528409      -0.99702108
N        1.23012412      -0.20784503       1.65055857      -3.14943398      -5.99757854      -3.26088834
H        0.16186092       1.60385572       1.56919454       0.04101087       3.52555415       3.28244855