4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=20.689053206010186 stress="-234.9726192839714 -5.486941258242268 136.99713628266701 -5.486941258242268 -135.60288673435127 18.600748107717244 136.99713628266701 18.600748107717244 -207.42749179409105" pbc="F F F" Br -0.08232175 0.20654709 -0.04212856 -24.18630190 -37.78724572 -25.40355971 Br 1.42792750 1.66334048 0.22152703 146.66210042 58.04309028 -141.40712427 Br 1.58329612 0.10799854 1.49422367 11.13483976 -50.01252974 43.14934187 Br -0.04437495 1.75636467 1.40066415 -133.61063828 29.75668518 123.66134211