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:Z:I:1:forces:R:3 energy=55.301809644146374 pbc="F T T" Br 0.06682723 -0.07656279 0.01438127 35 -296.78747568 -49.85028519 -278.23369067 Br 1.72788778 1.46231779 -0.22746678 35 58.40743994 58.47120292 -81.68958944 Br 1.50698039 0.05186407 1.08168898 35 383.92509334 -132.04482493 273.62411346 Br 0.18237622 1.37844676 1.35496308 35 -145.54505760 123.42390721 86.29916665