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=409.30714736770256 stress="-26.932146248714286 -0.09368427460999726 0.36414705142144466 -0.09368427460999726 -26.170444278368922 0.44070780467536413 0.36414705142144466 0.44070780467536413 -16.467204595430545" free_energy=409.30714736770256 pbc="T T F" Br 2.95894820 0.20259391 0.06504129 -41.94500191 -50.63658040 -137.28275801 Br 1.20865944 1.36550211 0.22277084 53.60598754 63.72294193 -151.71188709 Br 1.53986855 0.39359151 1.69581920 25.62812772 -44.23413811 148.78410573 Br 0.14685009 1.76166535 1.67626233 -37.28911335 31.14777659 140.21053938