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=1851.2384671303669 stress="-253.70033995562733 40.09236762142909 -25.43242012795074 40.09236762142909 -315.5391799375318 -124.68642048275733 -25.43242012795074 -124.68642048275733 -330.60187383891054" pbc="T F F" Br 0.11602218 0.24300369 0.26289036 -2551.72306165 -5006.65958732 -6318.96747925 Br 1.30063411 1.48796610 0.16576063 1199.63763012 2141.21066956 -2163.19524247 Br 1.39058838 0.26135250 1.17527942 4079.58433335 -3218.39872548 2290.57131028 Br 0.18817134 1.21490259 1.33309145 -2727.49890182 6083.84764323 6191.59141145