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=134.389148431 pbc="F T T" Ba -0.21707836 -0.01739693 -0.13863341 56 -37.75654364 -6.81583671 4.27059724 Ba 1.55835534 1.24645637 -0.01723967 56 38.48130633 14.71614053 -9.47034330 Ba 1.42001865 0.44694300 1.20342959 56 34.70609369 -18.36715766 8.88564451 Ba 0.04387568 1.35292440 1.63700089 56 -35.43085637 10.46685384 -3.68589845