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=-43.849493 dipole="-3.51302762 -3.7848235 -3.51302762" pbc="T T T"
Ba       0.00000000       0.00000000       0.00000000       0.00000000
Ta       2.05000000       2.05000000       2.05000000       0.00000000
N        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