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=7.079563675398026 stress="-23.471567685602395 1.8120444215818132 -1.4772856273568866 1.8120444215818132 -22.617273854778073 -2.2918399522109425 -1.4772856273568866 -2.2918399522109425 -25.555381630828016" pbc="F F F" P -0.22238644 0.18220204 -0.10637159 -7.12245805 -7.77368164 -10.64278808 P 1.73573857 1.52724172 -0.22461850 6.97086786 4.46847058 -4.37118224 P 1.20296332 -0.15112699 1.72083292 6.94910985 -7.50280150 6.97247131 P -0.21015034 1.48735431 1.42299150 -6.79751966 10.80801257 8.04149901