5 Lattice="4.59352 0.0 0.0 0.0 4.59352 0.0 0.0 0.0 4.59352" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-476.578302492 dipole="-3.71668254 -3.71668254 -3.71668254" pbc="T T T" Ta 0.00000000 0.00000000 0.00000000 0.00000000 Ag 2.29680000 2.29680000 2.29680000 0.00000000 S 2.29680000 0.00000000 2.29680000 0.00000000 S 2.29680000 2.29680000 0.00000000 0.00000000 S 0.00000000 2.29680000 2.29680000 0.00000000