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=-8.166520918256676 stress="-32.95038226449139 2.457397322098076 -6.095756374846998 2.457397322098076 -50.08466716859907 -21.389862233435494 -6.095756374846998 -21.389862233435494 -46.91939847383667" pbc="F F F" W -0.14459490 0.11115480 0.11044915 -12.93891360 -26.96313096 -29.01482670 W 1.70960170 1.31143450 -0.16166483 8.82844087 6.01923325 -5.21897583 W 1.28829595 -0.16490224 1.64041416 11.18972315 -7.94597064 12.19616436 W -0.22187219 1.51878885 1.32834452 -7.07925041 28.88986835 22.03763817