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=147.965986863 pbc="T F T" Ba 0.19724111 -0.03787426 -0.00548572 56 -16.66880239 -39.83845768 -0.38499311 Ba 1.34126820 1.34140700 -0.18331863 56 18.90168847 38.41478261 9.33665935 Ba 1.21571798 -0.03508962 1.41257404 56 15.48524571 -44.93884901 -0.27328469 Ba 0.48439216 1.43381326 1.55618294 56 -17.71813179 46.36252408 -8.67838155