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=-3.6218964512091976 stress="0.15818630780495746 -0.05385205762332615 -0.07135105385062782 -0.05385205762332615 0.23105473284238248 0.05160731030538211 -0.07135105385062782 0.05160731030538211 0.22747129474118147" free_energy=-3.6218964512091976 pbc="T F F"
N       0.21785085       0.07022621       0.10537101       1.09447422       2.22451930       1.55670045 
O       1.20641190       1.76767637       0.17842378      -1.71455933      -1.91386954       2.11973501 
H       1.49466293       0.14594781       1.45785282      -3.18653993       2.30466241       0.47909592 
C       0.24717822       1.28013645       1.77652831       3.80662504      -2.61531217      -4.15553138