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=1333.04111071881 stress="-262.46139722462317 -93.30976690505317 14.691572970550691 -93.30976690505317 -222.26471573532274 5.688734963203085 14.691572970550691 5.688734963203085 -180.54373202683414" pbc="T T F" Rg -0.20977436 -0.02565185 0.13522415 2206.42078340 -1328.86892094 -1885.25693269 Rg 1.69509726 1.24157515 0.07386837 -959.63636980 2095.82453796 -1854.30559151 Rg 1.79853723 0.26990398 1.33266767 -5489.81521590 -4420.93245889 2582.10398818 Rg -0.08366143 1.21719928 1.57716324 4243.03080231 3653.97684186 1157.45853602