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=-7.880251197038295 stress="-0.3497645128561584 0.10584120203823048 -0.07374454294318146 0.10584120203823048 0.299217594450442 -0.23910721390356737 -0.07374454294318146 -0.23910721390356737 0.15167068461658675" free_energy=-7.880251197038295 pbc="F T T" C 0.22094491 0.23171545 0.18190327 -4.65369703 4.50856698 5.55524685 C 1.32183498 1.71219253 2.92485375 6.82574396 3.75116087 -5.39765255 C 1.62990665 2.78220450 1.78278197 1.01047553 -5.29360180 5.04417544 C 0.06210000 1.63362859 1.32702941 -3.18252246 -2.96612604 -5.20176975