108 Lattice="8.09190240030195 0.0 0.0 0.0 8.09190240030195 0.0 0.0 0.0 8.09190240030195" Properties=species:S:1:pos:R:3:forces:R:3 energy=-277.49965578293666 stress="-0.11591747395440298 -0.005777323692094779 0.0003280270586273006 -0.005777323692094779 -0.0914781824726918 -0.006943486952651821 0.0003280270586273006 -0.006943486952651821 -0.08853214692038815" free_energy=-277.49965578293666 pbc="F F F" C 0.00412743 0.00213556 0.01458164 2.49809933 2.15736925 2.13979532 C 1.32544832 1.35453872 0.00727524 0.46167864 1.23795345 -5.56848219 C 1.32519147 0.01856182 1.35252733 0.68665539 -5.83135731 0.97592843 C 0.02225640 1.33520536 1.32415818 -5.34492164 2.35023759 0.48858994 C 2.71620767 0.02557141 0.01519112 -0.39228350 2.41268873 1.96373713 C 4.08577099 1.37491448 0.02339662 -0.67926871 -1.74819120 -5.76664613 C 4.02199897 0.02667490 1.37278990 0.94006695 -5.18549170 -0.69536672 C 2.68290120 1.31616744 1.33186104 -1.15244587 -0.56728676 -0.09644013 C 5.41081846 0.01443577 0.00824462 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