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=-2.862442035339854 stress="0.20378610660067006 -0.006452625933298218 0.003954882792552385 -0.006452625933298218 0.1191565566827245 -0.01794104388333311 0.003954882792552385 -0.01794104388333311 0.10850519569179279" pbc="T F F" He 0.18012583 0.07236142 0.20379337 0.10195241 1.16357425 1.10830661 He 1.50283856 1.26922180 0.02031036 -0.02332026 -1.24373765 1.27711775 He 1.64206286 0.02015752 1.37970777 -0.22439532 1.34949999 -1.52520666 He 0.35039465 1.37871118 1.25213077 0.14576317 -1.26933659 -0.86021770