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=247.53650827035304 stress="-1341.5845578639028 -180.33607368840708 273.07727214710957 -180.33607368840708 -1178.072432608058 -254.7198340822638 273.07727214710957 -254.7198340822638 -1057.8806558668484" pbc="F F F" Lr -0.06339446 -0.05803381 -0.22503537 -425.50476755 -494.50663408 -268.64446243 Lr 1.77065598 1.26702657 -0.28978276 640.02162473 231.78768024 -381.14367875 Lr 1.53300088 -0.16079023 1.69898092 148.80716447 -210.24980799 214.43187515 Lr 0.12872730 1.73771955 1.20053772 -363.32402165 472.96876182 435.35626604