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=9.073623267067326 stress="-6.3734871940523705 0.12438691809700635 1.5903972617593094 0.12438691809700635 -2.6475651615615727 0.1926152013424849 1.5903972617593094 0.1926152013424849 -9.313868626358376" free_energy=9.073623267067326 pbc="F T T" N 0.27410067 2.80476127 2.57500065 -22.96333331 15.54456276 6.43898127 U 1.44615122 1.59906665 2.79250795 124.99989104 5.64573677 -28.87810448 N 1.76988087 0.33045725 1.41567898 14.98489590 -6.92693297 -5.57352181 U 0.24706405 1.44011901 1.24823169 -117.02145363 -14.26336656 28.01264503