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=358.53471181801575 stress="-13.372160361873151 -0.08288368376114157 0.39905673479449355 -0.08288368376114157 -25.235992004692953 -0.9677688699005872 0.39905673479449355 -0.9677688699005872 -14.068787312183645" free_energy=358.53471181801575 pbc="F T F" Br 0.07034430 0.04852473 0.05473499 -153.36171806 18.09949537 -146.14618839 Br 1.41561068 1.63661615 0.11041876 136.97072085 -48.72046894 -147.61247995 Br 1.26735611 2.83533445 1.24148635 149.44273097 56.97141992 155.06626312 Br 0.08611608 1.53369179 1.52598936 -133.05173376 -26.35044635 138.69240522