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=-0.1249756989753646 stress="0.0702818573003885 -0.010449838831230933 -0.033338494828105615 -0.010449838831230933 0.02901089503920897 0.0009841879812875721 -0.033338494828105615 0.0009841879812875721 0.07812558099432661" free_energy=-0.1249756989753646 pbc="T F F"
H        0.23573857       0.02724172       0.22083292       0.44948524       0.16978952       0.33790995
H        1.28984966       1.48735431       0.22503610      -1.18558801      -0.12642568       1.26585501
H        1.32825321       0.13102478       1.59995250      -0.66647873       0.38692989      -0.36659752
H        0.26120756       1.51193751       1.52148928       1.40258151      -0.43029372      -1.23716744