3 Lattice="3.4907053113106077 5.552119716256508e-22 0.0 -1.7453526556553038 3.0230394767202533 0.0 -4.974604112503046e-21 0.0 17.781941399512586" Properties=species:S:1:pos:R:3 energy=-13.914335035927094 dipole="3.041909110578974 -1.7562470438431548 -5.435040769952288e-09" free_energy=-13.923930485081216 pbc="T T F" Pt -0.00000000 0.00000000 8.89097068 S 1.74535266 1.00767983 10.27965702 S 1.74535266 1.00767983 7.50228436