3 Lattice="3.7028258655381605 -4.707275672249341e-18 0.0 -1.8514129327690807 3.206741265346156 0.0 -1.5645630407548382e-18 0.0 18.232485982860293" Properties=species:S:1:pos:R:3 energy=-13.723863664315415 pbc="T T F" Zr 0.00000000 0.00000000 9.21304750 Br 1.85141293 1.06891376 10.99272170 I 1.85141293 1.06891376 7.23104577