108 Lattice="7.907550019414999 0.0 0.0 0.0 7.907550019414999 0.0 0.0 0.0 7.907550019414999" Properties=species:S:1:pos:R:3:forces:R:3 energy=-524.551078343378 stress="-0.055559082597637095 0.0019229480121120347 -0.0010818582085466353 0.0019229480121120347 -0.05866912195089184 -0.002396196288556843 -0.0010818582085466353 -0.002396196288556843 -0.05792113108061798" free_energy=-524.551078343378 pbc="F F F" C 0.01765328 0.01305492 0.00543311 2.61619782 2.68306664 2.58930525 C 1.30255276 1.32224994 0.00533327 -0.84388968 -0.27561933 -2.67579088 C 1.29666808 0.02114099 1.29691572 -0.74712537 -2.65237031 -0.95159390 C 0.00464247 1.28357304 1.32778389 -2.61226521 -0.75954540 -0.11870859 C 2.61384853 0.01272024 0.01428970 0.16034284 3.64879905 3.71673208 C 3.95107144 1.33447774 0.01806189 0.28203617 -2.09299762 -2.57669663 C 3.95822201 0.00224371 1.33101119 0.26943067 -2.83346830 -2.51035372 C 2.65747568 1.29649674 1.29264558 0.17106528 -4.08186242 -4.17493022 C 5.27411505 0.01260225 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