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=11.6377270146 stress="-14.344138219236541 -0.8460302834313314 1.5083373844968526 -0.8460302834313314 -17.86905524775542 -2.322608740762027 1.5083373844968526 -2.322608740762027 -15.934054380950425" pbc="F F F" U -0.28095614 0.00082602 0.24624097 -16.10298251 -34.25324055 -28.38588590 U 1.64302402 1.35498893 0.11042859 21.26699152 19.68405818 -26.41823154 U 1.70947124 -0.14487149 1.55280714 12.20476762 -20.63063588 18.75016852 U -0.08666117 1.34655491 1.37241235 -17.36877663 35.19981824 36.05394893