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=0.4082835461322999 stress="-1.495757016905168 -0.47331109682543504 -0.925347904498774 -0.47331109682543504 -0.2973024211827255 -0.2807628829497318 -0.925347904498774 -0.2807628829497318 -1.3938728906876674" pbc="F F F" W -0.29424575 -0.03036777 0.15586213 -0.89471081 -0.33686849 -0.73345595 H 1.40395547 1.33226600 -0.26950400 0.24755625 0.12672895 -0.11188022 He 1.62036030 -0.04368752 1.74843919 0.53625645 0.11242185 0.50446135 H 0.14432661 1.26023492 1.74849743 0.11089810 0.09771768 0.34087481