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=-5.228990119434041 stress="0.08440240126401591 -0.11362641261778623 0.09554829093992197 -0.11362641261778623 0.07868309925294352 0.026322439722781983 0.09554829093992197 0.026322439722781983 -0.06555304135129539" free_energy=-5.228990119434041 pbc="T F T"
H        0.34287130       0.22725014      -0.05427086       0.19392050      -0.70428112      -0.93999904
O        1.24236599       1.71439991      -0.23433424      -3.37337948       0.66212664      -1.09531384
C        1.41891241       0.07146234       1.50245740      -3.77286086       2.55615104       1.03437881
N        0.23939028       1.30557629       1.54165967       6.95231983      -2.51399657       1.00093407