4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=69.90350431528022 stress="-314.24433173095383 126.47181443522386 11.83944035434186 126.47181443522386 -410.2819976407343 -18.83012472516657 11.83944035434186 -18.83012472516657 -344.7278806035455" pbc="F T T" user01 -0.21779550 0.28278197 0.06210000 -180.09725424 -187.11629122 -284.37717385 user01 0.68231865 0.57702941 0.07034430 226.94786424 113.71595192 -351.75867445 user01 0.56588084 0.05473499 0.66561068 294.85245942 -593.67353395 184.80338345 user01 0.13661615 0.65480033 0.62719504 -341.70306942 667.07387325 451.33246485