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=134.5141547116669 stress="-22.451446368798162 1.2621906166620813 0.4172818188463265 1.2621906166620813 -16.770367546977926 0.06969701438832855 0.4172818188463265 0.06969701438832855 -17.156247959227127" pbc="T F F" W -0.14801295 0.06329927 0.09073906 97.59120627 -198.38288128 -159.15269124 W 1.77219963 1.43381326 0.13132919 -109.67390743 173.86363256 -157.04001309 W 1.75978669 0.18365717 1.70288723 -91.11506255 -165.70453685 158.58802908 W 0.08343331 1.29585403 1.44809454 103.19776371 190.22378557 157.60467525