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=-39.13795896478327 stress="0.32152677344436564 0.010115295994346619 -0.04481116884018926 0.010115295994346619 0.3084199044784576 0.015563088612655445 -0.04481116884018926 0.015563088612655445 -0.13426177124100627" pbc="T T F" W -0.13623999 -0.04524772 0.16487885 -1.81769551 3.93828151 -2.82741498 H 1.31440760 1.74493277 0.16689671 0.66965093 -3.69425220 0.21471806 He 1.27866216 -0.17638157 1.65243761 -0.41505718 -0.39976842 1.79266941 H 0.16343824 1.43445886 1.33305119 1.56310176 0.15573911 0.82002751