3 Lattice="4.81355379471995 -1.4640353656214334e-19 0.0 -2.4067768973599755 4.16865986871046 0.0 0.0 0.0 17.769100799288978" Properties=species:S:1:pos:R:3 energy=-12.906744953192916 dipole="-1.252960710956472e-15 4.364459419750205e-15 4.709456846404181e-14" free_energy=-12.906744953192918 pbc="T T F" Ba -0.00000000 0.00000000 8.88455040 Cl 2.40677690 1.38955329 10.26910080 Cl -0.00000000 2.77910658 7.50000000