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=164021.18326598982 pbc="T F F" Ba -0.08410065 0.25977495 -0.22442676 56 -91085.18485227 -269792.24428857 -163434.75055464 Ba 1.32543901 1.50337063 -0.22596386 56 133033.81752019 259718.40347415 -81581.34312019 Ba 1.56200107 0.02726067 1.32523561 56 79631.74791105 -264553.86104510 65334.31639074 Ba 0.14604316 1.25011652 1.49305963 56 -121580.38057897 274627.70185952 179681.77728410