6 Lattice="5.075630332148985 -2.7073095881309177e-18 0.0 9.789854716953029e-18 3.7190842775506785 0.0 6.5628675226324976e-18 0.0 21.341805962036666" Properties=species:S:1:pos:R:3 energy=-35.68211883886638 pbc="T T F" Zr 2.53781517 0.00000000 9.86648181 Zr 0.00000000 1.85954214 11.47535257 S 2.53781517 1.85954214 11.66804555 S 0.00000000 -0.00000000 9.67378937 Br 2.53781517 1.85954214 7.84677529 Br 0.00000000 -0.00000000 13.49505834