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=421.15004532584175 stress="-14.854508596407909 -0.23703547056206406 2.7030639281312148 -0.23703547056206406 -14.467987442387706 1.5799527762363252 2.7030639281312148 1.5799527762363252 -28.772354751137286" free_energy=421.15004532584175 pbc="F F T" Br 0.29874826 0.05835534 2.74645637 -147.31701451 -162.25019354 40.08572392 Br 1.48193431 1.42001865 0.20070203 169.50839568 151.71323556 -49.62339396 Br 1.20342959 0.28187239 1.51083794 178.02849658 -155.23676380 -11.24565240 Br 0.10170120 1.37793365 1.21904386 -200.21987775 165.77372179 20.78332244