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=133.637338059 pbc="F T T" Ba -0.21707836 -0.01739693 -0.13863341 56 -37.75293853 -6.81703912 4.27154795 Ba 1.55835534 1.24645637 -0.01723967 56 38.47805132 14.71488582 -9.47167462 Ba 1.42001865 0.44694300 1.20342959 56 34.70337625 -18.36578298 8.88612986 Ba 0.04387568 1.35292440 1.63700089 56 -35.42848903 10.46793628 -3.68600319