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=76.6984619746 pbc="T F F" Ba 0.00710170 -0.10737673 0.05013808 56 -3.64631031 -24.40256257 -23.04899506 Ba 1.39743445 1.63362859 -0.08685450 56 4.49927268 21.06252761 -26.32235423 Ba 1.29364079 0.01227909 1.55473499 56 5.48548716 -22.52234353 25.86507111 Ba 0.21435895 1.63661615 1.40480033 56 -6.33844953 25.86237850 23.50627818