3 Lattice="3.6476030429425754 7.89409311362943e-19 0.0 -1.8238015214712877 3.158916898109691 0.0 -3.0052466154837207e-18 0.0 19.5" Properties=species:S:1:pos:R:3 energy=-13.400916653791235 pbc="T T F" Zr -0.00000000 -0.00000000 9.81770069 Br 1.82380152 1.05297230 11.67030631 I -0.00000000 2.10594460 7.76204380