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=-7.412529099100408 stress="7.931615074505253 0.8732152129124491 5.327024632631851 0.8732152129124491 8.09443143784269 3.7181504815977195 5.327024632631851 3.7181504815977195 9.89743253731873" pbc="F F F" C 0.19178619 0.17895518 0.29140871 6.22469233 5.76675541 8.79961337 C 1.46654064 1.50821123 0.14904689 -1.48455668 -2.47029671 -0.44428195 C 1.28091226 0.10609294 1.46603997 -5.36109356 0.85905957 -5.28134842 C -0.13072048 1.32157598 1.51361598 0.62095791 -4.15551826 -3.07398300