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=-0.8750279961880145 stress="0.08195660728221765 0.003668025353444915 -0.008431426022339391 0.003668025353444915 0.054084137729254904 -0.0020223091163203955 -0.008431426022339391 -0.0020223091163203955 0.05618769538858652" pbc="T F F" user09 -0.29887613 0.23115032 0.13355005 -0.48962915 0.37387230 0.75975202 user09 1.35613409 1.57913777 0.20382118 0.16895263 -0.67505218 0.44801225 user09 1.47016009 0.17068495 1.20269749 0.58629084 0.76095984 -0.67000771 user09 -0.29340011 1.32797527 1.68111475 -0.26561432 -0.45977996 -0.53775656