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=-0.9825984993789272 stress="0.08996555549482935 -0.016873468428225832 0.006366393594409409 -0.016873468428225832 0.08227503971242826 0.006522314534152056 0.006366393594409409 0.006522314534152056 0.04922735714268183" pbc="T T F" user20 0.15149327 -0.08236706 0.07378191 0.39388837 -0.18127616 0.55926648 user20 1.49102773 1.78099563 0.00457912 -0.24794633 0.29143083 0.40001983 user20 1.26926443 0.17775217 1.42194340 -0.53005561 0.26030221 -0.55118238 user20 0.05041623 1.33099876 1.44199537 0.38411357 -0.37045687 -0.40810393