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=76.7104472867 pbc="T F F" Ba 0.00710170 -0.10737673 0.05013808 56 -3.64630591 -24.40257398 -23.04900384 Ba 1.39743445 1.63362859 -0.08685450 56 4.49927634 21.06253809 -26.32236471 Ba 1.29364079 0.01227909 1.55473499 56 5.48541751 -22.52236231 25.86508240 Ba 0.21435895 1.63661615 1.40480033 56 -6.33838795 25.86239820 23.50628615