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=-4.8170577413410935 stress="-0.15471592434566625 0.06009136041840455 -0.2149907829970824 0.06009136041840455 0.1710147953513436 -0.06702664791600405 -0.2149907829970824 -0.06702664791600405 -0.1034209215937491" free_energy=-4.8170577413410935 pbc="T F T"
N       0.27027626       0.04430989       2.74458927       1.20401953       1.64677232      -6.81076384 
H       1.54990507       1.59566009       2.87111754       3.81055048       0.41774499      -3.59700524 
O       1.79712509       0.04684578       1.43053312       0.61242840       1.87090957       4.89875883 
C       2.72809477       1.38348180       1.78475322      -5.62699841      -3.93542688       5.50901025