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=0.7876964563228376 stress="-3.00650293133163 -1.3908747534228776 -0.9303022184638681 -1.3908747534228776 -2.2011401776469084 -0.011541249359631855 -0.9303022184638681 -0.011541249359631855 -1.4423514652007483" pbc="F F F" W -0.13105901 0.04737131 0.03238783 -1.70618293 -1.05277303 -0.86301767 He 1.74404962 1.36810690 0.12937675 1.05609525 1.10434209 -0.30630183 H 1.25818085 0.27612187 1.29640878 0.75165407 -0.55348886 1.07044987 H 0.04634415 1.77913633 1.23587456 -0.10156639 0.50191981 0.09886963