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=501.70083407810677 stress="-18.113374826846968 -0.17240105556422755 -0.06163961912394059 -0.17240105556422755 -31.344188869421057 -0.24217204146763044 -0.06163961912394059 -0.24217204146763044 -28.812949863667196" free_energy=501.70083407810677 pbc="F T T" Br 0.18365717 0.20288723 0.36621528 -190.91657630 -88.80929264 -79.01364822 Br 1.29585403 1.44809454 0.22094491 164.34459584 76.69329492 -102.34402476 Br 1.73171545 0.18190327 1.32183498 201.06269350 -53.29893114 72.59901399 Br 0.21219253 1.42485375 1.45693607 -174.49071304 65.41492886 108.75865898