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=-2.60257348915 stress="3.1348770618967685 0.9114792778490538 1.16642660043371 0.9114792778490538 0.32805457928091103 2.054983695913235 1.16642660043371 2.054983695913235 2.631376696252302" pbc="F F F" C 0.10609294 -0.03396003 -0.10328069 6.97466671 4.72089188 8.85197771 C 1.32157598 1.51361598 -0.14801295 -4.38219859 0.97566988 -0.98225834 C 1.40948867 0.06329927 1.43745442 -4.95557672 -4.11034367 -3.71402025 C -0.22153142 1.49451428 1.06719332 2.36310860 -1.58621810 -4.15569913