3 Lattice="3.8290614840250434 0.0 0.0 -1.9145307420125217 3.3160645178182304 0.0 0.0 0.0 18.878290472552226" Properties=species:S:1:pos:R:3 energy=-13.00432362506771 dipole="5.180946557390909 -2.991220889566719 -4.655682771230226e-11" free_energy=-13.004336660207294 pbc="T T F" Zr 0.00000000 0.00000000 9.43914524 I 1.91453074 1.10535484 11.37829047 I 1.91453074 1.10535484 7.50000000