4 Lattice="3.767805177920671 1.0216330130386755e-19 0.0 -1.8839025889603356 3.2630150005898466 0.0 -2.7577083688941094e-18 0.0 19.12624304428282" Properties=species:S:1:pos:R:3 energy=-20.731224130547854 dipole="1.8232455372440697 -1.052651301726664 3.7536304775134445e-08" free_energy=-20.74261855007882 pbc="T T F" Pt 1.88390259 1.08767167 8.24089125 Pt 1.88390259 1.08767167 10.88535172 S -0.00000000 2.17534333 7.53696669 S 0.00000000 2.17534333 11.58927753