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:Z:I:1:forces:R:3 energy=150.255233825 pbc="F T F" Ba 0.21711796 -0.05388404 0.06469383 56 -43.75304858 -13.73197057 -41.09454921 Ba 1.37241235 1.08946913 0.10459395 56 46.02897139 15.68888843 -49.46952975 Ba 1.22286420 0.16444634 1.25205420 56 38.07528652 -24.20249955 48.19408959 Ba 0.44879977 1.28603070 1.20245745 56 -40.35120934 22.24558168 42.36998937