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=27.212768877182107 stress="-131.04290037505166 51.65909505979977 3.3622604451408904 51.65909505979977 -110.84566038308337 3.48615569087913 3.3622604451408904 3.48615569087913 -81.80405287376843" pbc="F F F" Re 0.23171545 0.18190327 -0.17816502 -22.13821029 -20.38391009 -27.69952227 Re 1.71219253 1.42485375 0.12990665 28.76967013 27.62848621 -23.34783120 Re 1.28220450 0.28278197 1.56210000 76.44214298 -81.20754777 31.52664346 Re 0.13362859 1.32702941 1.57034430 -83.07360283 73.96297165 19.52071000