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=63.469499657446065 stress="-60.795646144886085 0.9443526429353368 3.369998942768916 0.9443526429353368 -49.04927223882151 -0.8618750269632116 3.369998942768916 -0.8618750269632116 -67.41603676919976" pbc="F F F" Ba 0.23171545 0.18190327 -0.17816502 -17.46343114 -16.75571143 -23.91454413 Ba 1.71219253 1.42485375 0.12990665 23.41063006 19.89397918 -17.90900323 Ba 1.28220450 0.28278197 1.56210000 22.24790074 -26.73289181 23.72173239 Ba 0.13362859 1.32702941 1.57034430 -28.19509967 23.59462407 18.10181497