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=81.7469499448 stress="-26.097699819710343 -3.4992933067394514 -0.6978422726569757 -3.4992933067394514 -47.08194643350867 -16.564380499251094 -0.6978422726569757 -16.564380499251094 -38.27399305316668" pbc="F F F" P -0.28095614 0.00082602 0.24624097 -38.21943257 -109.06378652 -91.43771049 P 1.64302402 1.35498893 0.11042859 35.23480739 35.38671020 -44.22968040 P 1.70947124 -0.14487149 1.55280714 24.57061697 -37.47692226 34.37709982 P -0.08666117 1.34655491 1.37241235 -21.58599179 111.15399858 101.29029107