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=-5.466095553387084 stress="0.08533968140090432 -0.0018253559307249765 -0.11935514509026532 -0.0018253559307249765 -0.09267112799771608 -0.07853742081011195 -0.11935514509026532 -0.07853742081011195 0.023633730626312795" free_energy=-5.466095553387084 pbc="F T F"
H       0.29782497       2.85113278       0.00882294      -0.41449540      -3.32403654       1.52877750 
O       1.27434801       1.60878037       0.27852494      -2.68455392       1.83095238      -0.72340545 
N       1.48026295       2.95300620       1.43918063       0.64862972      -1.07233890       2.76827411 
C       0.11434322       1.68577928       1.24079411       2.45041960       2.56542306      -3.57364616