5 Lattice="4.1 0.0 0.0 0.0 4.1 0.0 0.0 0.0 4.1" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-33.984443 dipole="-3.47961183 -3.47961183 -3.47961183" pbc="T T T" Ba 0.00000000 0.00000000 0.00000000 0.00000000 Sn 2.05000000 2.05000000 2.05000000 0.00000000 O 2.05000000 0.00000000 2.05000000 0.00000000 O 2.05000000 2.05000000 0.00000000 0.00000000 O 0.00000000 2.05000000 2.05000000 0.00000000