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=1854.729740297173 stress="-9298.83025824925 -1685.1578173623145 -151.92698660014867 -1685.1578173623145 -8750.848619314675 -676.1665065606776 -151.92698660014867 -676.1665065606776 -5266.418919985019" pbc="F F F" Na 0.05240144 0.02796617 -0.04669531 -4099.02644313 -4762.88942114 -2115.70682400 Na 1.36937657 1.32588158 -0.19776621 3767.09014963 3844.47665681 -1131.15716572 Na 1.34412338 0.04299254 1.56039815 2945.33196694 -2133.14065052 1540.38147523 Na -0.15159228 1.27097128 1.48862484 -2613.39567344 3051.55341484 1706.48251449