108 Lattice="7.9075485111695265 0.0 0.0 0.0 7.9075485111695265 0.0 0.0 0.0 7.9075485111695265" Properties=species:S:1:pos:R:3:forces:R:3 energy=-524.9685527733345 stress="-0.05186046334517837 -0.0023221429969131875 -0.0011263917354868674 -0.0023221429969131875 -0.048597642257336204 0.0004014336191704588 -0.0011263917354868674 0.0004014336191704588 -0.04405700929875704" free_energy=-524.9685527733345 pbc="F F F" C 0.00457914 0.00207161 0.00621074 2.23106523 2.37958300 2.21651736 C 1.31469954 1.31651839 0.01588163 -0.56784505 -0.73587543 -2.39298273 C 1.30187821 0.01556849 1.35026519 -0.70270900 -2.68370308 -0.18708464 C 0.01493979 1.29350878 1.29158526 -2.73622921 -0.58867836 -0.54950459 C 2.66049100 0.02417654 0.02470745 0.28159047 3.74409923 3.28614541 C 3.92308642 1.32123054 0.00853484 0.29272537 -2.05864023 -3.01517837 C 3.96355649 0.00610682 1.29880541 0.43611636 -3.14142517 -2.48615050 C 2.64876126 1.31073799 1.32926940 -0.21322891 -3.39705861 -3.56204143 C 5.29088293 0.02072484 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