20 Lattice="6.885893 -0.0 -0.182442 0.0 11.198974 -0.0 -2.522664 0.0 5.738218" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-1943.46464054 dipole="0.23620754 -16.5376636 -4.5020591" pbc="T T T" Ag 0.00000000 3.66020000 -0.00000000 0.00000000 Ag 0.00000000 7.53870000 -0.00000000 0.00000000 Ag 3.44290000 9.25970000 -0.09120000 0.00000000 Ag 3.44290000 1.93930000 -0.09120000 0.00000000 Ta 4.40790000 0.00000000 3.75200000 0.00000000 Ta -0.04470000 0.00000000 1.80380000 0.00000000 Ta 0.96500000 5.59950000 3.84320000 0.00000000 Ta 3.39830000 5.59950000 1.71260000 0.00000000 S -0.09990000 0.00000000 4.14930000 0.00000000 S 4.46310000 0.00000000 1.40640000 0.00000000 S 3.34310000 5.59950000 4.05810000 0.00000000 S 1.02020000 5.59950000 1.49770000 0.00000000 S 3.17610000 1.80470000 4.22820000 0.00000000 S 3.17610000 9.39430000 4.22820000 0.00000000 S 1.18710000 9.39430000 1.32760000 0.00000000 S 1.18710000 1.80470000 1.32760000 0.00000000 S -0.26690000 7.40410000 4.31940000 0.00000000 S -0.26690000 3.79480000 4.31940000 0.00000000 S 4.63010000 3.79480000 1.23640000 0.00000000 S 4.63010000 7.40410000 1.23640000 0.00000000