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=147.850110747 pbc="T F T" Ba 0.19724111 -0.03787426 -0.00548572 56 -16.66915095 -39.83822854 -0.38498013 Ba 1.34126820 1.34140700 -0.18331863 56 18.90193524 38.41457537 9.33669894 Ba 1.21571798 -0.03508962 1.41257404 56 15.48574727 -44.93861412 -0.27329146 Ba 0.48439216 1.43381326 1.55618294 56 -17.71853156 46.36226729 -8.67842735