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=63.381148086244444 stress="-5.270904565034412 -0.9818882196593575 -0.46424161800720465 -0.9818882196593575 -6.9983079056729744 0.560124534012087 -0.46424161800720465 0.560124534012087 -4.766480299731096" pbc="F T F" Mg 0.04852473 0.01848935 0.13661615 -68.07777410 -5.89878423 -57.22324966 Mg 1.40480033 1.28303047 0.11041876 44.07311386 15.47152941 -47.07930129 Mg 1.26735611 -0.16466555 1.24148635 69.11107393 4.98389520 61.34752983 Mg 0.08611608 1.53369179 1.52598936 -45.10641369 -14.55664039 42.95502112