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=230.532892101 stress="-84.36838560878772 4.273405682681169 -2.9727597669503814 4.273405682681169 -71.97798625016276 -1.9797465221183241 -2.9727597669503814 -1.9797465221183241 -78.83930059438299" pbc="F F F" Br 0.19178619 0.17895518 0.29140871 -106.70305327 -104.03737396 -157.46753060 Br 1.61455359 1.53253581 0.14904689 83.45837302 91.38401834 -67.14965945 Br 1.28091226 0.10609294 1.46603997 127.18345998 -95.05408266 130.63289800 Br -0.19401975 1.32157598 1.51361598 -103.93877973 107.70743829 93.98429205