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=173.09290979 stress="-57.49843983366827 -0.34773290997776346 -0.5839721337304544 -0.34773290997776346 -53.63388224774615 -0.8726864885806002 -0.5839721337304544 -0.8726864885806002 -53.67457481428985" pbc="F F F" Br 0.26959405 0.17626233 -0.14597521 -68.38240403 -81.74946220 -107.03984013 Br 1.70996341 1.49207130 0.15300231 92.91572072 89.45131514 -55.42132362 Br 1.53848316 -0.04225341 1.41852158 63.65629445 -82.10826950 84.09849314 Br -0.04210664 1.38825682 1.27041603 -88.18961114 74.40641656 78.36267062