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=150.363298613 pbc="F T F" Ba 0.21711796 -0.05388404 0.06469383 56 -43.75318931 -13.73051033 -41.09469113 Ba 1.37241235 1.08946913 0.10459395 56 46.02910052 15.68788345 -49.46964788 Ba 1.22286420 0.16444634 1.25205420 56 38.07537667 -24.20150579 48.19421757 Ba 0.44879977 1.28603070 1.20245745 56 -40.35128788 22.24413267 42.37012144