4 Lattice="3.9228894244355645 -2.6926532291847576e-18 0.0 -1.9614447122177823 3.3973218977985127 0.0 8.800188412615288e-19 0.0 19.176772602350198" Properties=species:S:1:pos:R:3 energy=-19.41335852562251 dipole="0.6438388628050328 -0.371720540755245 2.0589824290918873e-09" free_energy=-19.423876946208892 pbc="T T F" Pt 1.96144471 1.13244063 8.28386688 Pt 1.96144471 1.13244063 10.89290579 Se -0.00000000 2.26488127 7.43135812 Se -0.00000000 2.26488127 11.74541458