108 Lattice="7.915406254290945 0.0 0.0 0.0 7.915406254290945 0.0 0.0 0.0 7.915406254290945" Properties=species:S:1:pos:R:3:forces:R:3 energy=-278.1421451430358 stress="-0.4243094508325105 -0.0023224557118754446 0.012693865370002996 -0.0023224557118754446 -0.3904411914982794 -0.02274816984840297 0.012693865370002996 -0.02274816984840297 -0.40185491946292223" free_energy=-278.1421451430358 pbc="F F F" C 0.00211853 0.02561237 0.02253997 10.36839731 11.39141791 13.27244330 C 1.32055652 1.33577759 0.00470357 -7.80094285 -5.63711926 -3.15922404 C 1.32234809 0.00181616 1.29696988 -8.37225424 -2.83576323 -9.35901000 C 0.01731625 1.30716323 1.31552670 -1.18638172 -9.82809245 -8.53428278 C 2.64657627 0.02307079 0.01167412 -0.32583007 4.26637332 4.60084510 C 3.95051374 1.31348822 0.02126806 -2.19466615 -6.62662793 -8.24527682 C 3.94569369 0.01925508 1.31160385 -0.13005062 -10.00056937 -7.68547247 C 2.65358259 1.29448974 1.32164084 -3.20251014 -5.90889951 -6.90893977 C 5.27237507 0.02070724 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