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=-14.860363215770532 stress="0.5841782497240949 -0.0608591891463011 0.005492103345373982 -0.0608591891463011 0.3655828555991874 0.12721820087670915 0.005492103345373982 0.12721820087670915 0.7012785465845" pbc="T F T" C 0.20996341 0.15300231 0.18753005 3.20196970 3.54636074 1.63493942 C 1.45774659 1.41852158 -0.04210664 -2.93719295 -4.15196133 -1.82483269 C 1.38825682 0.19178619 1.67895518 -4.03949173 3.86673630 0.98615504 C 0.29140871 1.61455359 1.53253581 3.77471498 -3.26113571 -0.79626178