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=470842.5237012804 pbc="T F T" Ba -0.13157090 0.13961113 -0.12991658 56 514591.46771618 -245044.63737911 606138.46585495 Ba 1.29018688 1.57335007 -0.08998044 56 663149.66662834 490023.58213782 1211627.53521808 Ba 1.55345815 0.28151597 1.78249982 56 -415899.58955345 -539029.42002740 -1005839.19175284 Ba 0.17472188 1.78371557 1.67579706 56 -761841.54479107 294050.47526869 -811926.80932018