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=466413.358524132 pbc="T T F" Ba 0.25675414 0.08348543 -0.08333541 56 -1165479.35551055 -526940.01304902 -857221.21631821 Ba 1.23149335 1.47985602 0.04714135 56 686501.54620978 630490.44267429 -351133.80119007 Ba 1.36364347 0.04593008 1.20964424 56 703893.96592783 -282366.18760141 928833.48125423 Ba -0.02469397 1.32787813 1.48923212 56 -224916.15662705 178815.75797614 279521.53625405