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=148.718622329 pbc="T F T" Ba 0.19724111 -0.03787426 -0.00548572 56 -16.66947176 -39.84133049 -0.38572064 Ba 1.34126820 1.34140700 -0.18331863 56 18.90234738 38.41747278 9.33613435 Ba 1.21571798 -0.03508962 1.41257404 56 15.48623665 -44.94129868 -0.27295524 Ba 0.48439216 1.43381326 1.55618294 56 -17.71911227 46.36515639 -8.67745847