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=9.930949121115221 stress="-2.352764627913201 0.17412999523420575 -0.14996274186068997 0.17412999523420575 -3.7885966001259876 0.7235022124569294 -0.14996274186068997 0.7235022124569294 -2.300462181739916" free_energy=9.930949121115221 pbc="F T F" C 0.04852473 0.05473499 0.13661615 -36.56277916 -0.77508855 -30.73925832 C 1.40480033 1.10049154 0.11041876 28.94576158 19.81014889 -18.30759100 C 1.26735611 2.83533445 1.24148635 20.30060365 -26.11999051 22.88730103 C 0.08611608 1.49744616 1.52598936 -12.68358607 7.08493017 26.15954828