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=23.46251310981404 stress="-13.934883558643861 -0.6414501685039352 0.9388889008323815 -0.6414501685039352 -10.952633744762363 -0.5270221875072885 0.9388889008323815 -0.5270221875072885 -16.729402789424938" pbc="F F F" Cs 0.23171545 0.18190327 -0.17816502 -4.23456222 -4.13061813 -6.00917771 Cs 1.71219253 1.42485375 0.12990665 5.76587820 4.67976848 -4.35222225 Cs 1.28220450 0.28278197 1.56210000 4.56951171 -5.52049208 5.67728570 Cs 0.13362859 1.32702941 1.57034430 -6.10082769 4.97134172 4.68411426