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=79.02667386623256 stress="-6.465620661410038 -0.4509655796409112 -0.5412702978249332 -0.4509655796409112 -9.300488491054653 0.5055688810245378 -0.5412702978249332 0.5055688810245378 -6.075484606468952" free_energy=79.02667386623256 pbc="F T F" Al 0.05473499 2.91561068 0.13661615 -84.65852000 15.56450058 -78.55287355 Al 1.40480033 1.37719504 0.11041876 56.10569678 -10.04113000 -52.66565526 Al 1.26735611 2.83533445 1.24148635 82.90389207 21.93083715 69.07875851 Al 0.08611608 1.53369179 1.52598936 -54.35106885 -27.45420773 62.13977030