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=146.473181315 stress="-36.579610078366144 1.8381636669348944 -0.3780034550198482 1.8381636669348944 -37.74864964926166 -1.0975512132279472 -0.3780034550198482 -1.0975512132279472 -40.07220426674329" pbc="F F F" Br -0.12320595 -0.04105180 0.20259391 -77.08295929 -60.22985082 -52.08625266 Br 1.56504129 1.20865944 -0.13449789 63.04151750 43.78044441 -76.16010820 Br 1.28802619 0.22277084 1.68584377 76.70733083 -80.38876141 82.62102615 Br 0.18362810 1.69581920 1.64685009 -62.66588903 96.83816782 45.62533472