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=-0.4947185714926882 stress="1.5143609704507632 0.1431220933529277 -0.17069338894911767 0.1431220933529277 1.3939043447924249 -0.040129580472272774 -0.17069338894911767 -0.040129580472272774 1.4307273108313532" pbc="F F F" He -0.17769156 -0.08950840 -0.27713580 0.43218910 0.45348726 0.35162984 He 1.43858073 1.25205420 0.15488783 -0.71139119 -0.58119812 0.53786959 He 1.55988540 -0.29754255 1.66431082 -0.20755349 0.45672989 -0.40433114 He -0.18574270 1.48844065 1.53277713 0.48675558 -0.32901904 -0.48516828