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=133.521476951 pbc="F T T" Ba -0.21707836 -0.01739693 -0.13863341 56 -37.75264568 -6.81732263 4.27174187 Ba 1.55835534 1.24645637 -0.01723967 56 38.47777736 14.71525164 -9.47151861 Ba 1.42001865 0.44694300 1.20342959 56 34.70313339 -18.36608270 8.88613740 Ba 0.04387568 1.35292440 1.63700089 56 -35.42826507 10.46815369 -3.68636066