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=304893.06487826904 pbc="T T F" Ra -0.03938394 0.13069659 -0.06266633 88 216245.46696994 -608210.66703492 -676325.47447610 Ra 1.57928571 1.53278300 -0.15048297 88 -350006.65096191 157267.58515262 -369072.49635795 Ra 1.27743670 -0.06661810 1.76102553 88 -45095.04466523 -111517.29816141 107611.77991804 Ra -0.29286301 1.22770020 1.26280543 88 178856.22865720 562460.38004371 937786.19091601