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=-9.759650333910827 stress="-16.737589154248678 1.0470308281157752 7.00600984020188 1.0470308281157752 -26.64944576893784 6.071230251729341 7.00600984020188 6.071230251729341 -25.86349259660103" pbc="F F F" Br 0.04602600 0.03471686 -0.28371097 -1.81075770 -7.19600491 -3.59864881 Br 1.73916571 1.57523342 -0.13148042 7.15801540 10.44300071 -12.39088319 Br 1.74860356 0.16020711 1.55742556 2.49524654 -10.79118829 8.41693266 Br -0.00111689 1.61421249 1.33436505 -7.84250424 7.54419249 7.57259933