3 Lattice="3.5622893626210863 -9.453509260607003e-21 0.0 -1.7811446813105432 3.0850330836609365 0.0 0.0 0.0 18.65238485302725" Properties=species:S:1:pos:R:3 energy=-14.590325573316 dipole="3.642449161576681 -2.1029690039458235 8.296513921495208e-11" free_energy=-14.590330887551518 pbc="T T F" Zr -0.00000000 0.00000000 9.32619243 Br 1.78114468 1.02834436 11.15238485 Br 1.78114468 1.02834436 7.50000000