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=-0.6708702235167789 stress="0.07590029980348169 -0.09360595938489528 -0.014312677988240357 -0.09360595938489528 0.12053304319937878 -0.006202220315630256 -0.014312677988240357 -0.006202220315630256 0.006516723571351304" free_energy=-0.6708702235167789 pbc="T T F"
H       0.03277713       2.89971974       0.45387750       0.07704937      -0.70629496       0.28248406 
H       1.26716069       1.69410236       0.25310733      -0.14711396       0.15624044      -0.10249752 
H       1.79391194       2.72614529       1.52103145       2.28458427      -2.49668954      -0.21496729 
H       2.77761356       1.68220204       1.39362841      -2.21451967       3.04674406       0.03498076