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=6.30382127064 stress="-9.87481945597781 -0.6593490371599584 1.9618271063898145 -0.6593490371599584 -11.58086436570238 -3.2549413097923923 1.9618271063898145 -3.2549413097923923 -12.540315628232724" pbc="F F F" U -0.10028026 -0.12633864 -0.03902326 -12.21230526 -31.36220096 -29.06473066 U 1.28219307 1.71813893 -0.23283931 18.87108928 14.84501504 -19.55320554 U 1.69410236 -0.16903503 1.38201197 16.00570582 -9.91618465 8.33256225 U -0.06699407 1.22002482 1.27696427 -22.66448983 26.43337057 40.28537394