3 Lattice="4.000816106369712 0.0 0.0 -2.000408053184856 3.464808383986115 0.0 0.0 0.0 18.85996612556546" Properties=species:S:1:pos:R:3 energy=-5.720282735407902 dipole="4.789747764664642 -2.765362161279545 -2.1666239905355037e-11" free_energy=-5.746008053718132 pbc="T T F" Ag 0.00000000 0.00000000 9.42998306 I 2.00040805 1.15493613 11.35996613 I 2.00040805 1.15493613 7.50000000