5 Lattice="4.75267 0.0 0.0 0.0 4.75267 0.0 0.0 0.0 4.75267" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-484.672340097 dipole="-3.28188187 -3.28188187 -3.28188187" pbc="T T T" Ag 0.00000000 0.00000000 0.00000000 0.00000000 Ta 2.37630000 2.37630000 2.37630000 0.00000000 S 2.37630000 0.00000000 2.37630000 0.00000000 S 2.37630000 2.37630000 0.00000000 0.00000000 S 0.00000000 2.37630000 2.37630000 0.00000000