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=152.3347246481547 stress="-21.586500841303288 4.990824334857632 -0.5124450294171189 4.990824334857632 -21.52947331176775 -0.23103083466674873 -0.5124450294171189 -0.23103083466674873 -30.472891178960253" pbc="T T T" W 0.24624097 0.14302402 -0.14501107 -138.10693142 -28.47176119 -16.46225432 W 1.61042859 1.70947124 -0.14487149 11.48415882 -73.99166815 -8.05362187 W 1.27567134 -0.08666117 1.28513563 129.15678584 18.83966155 54.32603969 W -0.12758765 1.32230844 1.41049160 -2.53401324 83.62376780 -29.81016350