3 Lattice="3.5736321442942254 0.0 0.0 -1.7868160721471127 3.0948562207394557 0.0 0.0 -0.0 17.46405473900094" Properties=species:S:1:pos:R:3 energy=-15.693657685991008 dipole="2.6194484015966104e-10 -1.5122786999361347e-10 -3.083080565166313e-11" free_energy=-15.693657689815295 pbc="T T F" Pt 0.00000000 0.00000000 8.73202737 S 1.78681607 1.03161874 9.96405474 S 0.00000000 2.06323748 7.50000000