108 Lattice="8.091901768765453 0.0 0.0 0.0 8.091901768765453 0.0 0.0 0.0 8.091901768765453" Properties=species:S:1:pos:R:3:forces:R:3 energy=-277.1918186951119 stress="-0.07446298649469384 0.0026248004905674127 -0.007650461839993541 0.0026248004905674127 -0.0769550778382484 0.010063379421741892 -0.007650461839993541 0.010063379421741892 -0.07585632857557437" free_energy=-277.1918186951119 pbc="F F F" C 0.00139423 0.02071365 0.01241584 3.69995845 4.04550143 4.21343218 C 1.38278531 1.37075423 0.01428548 -1.72661243 1.64028582 -5.96531470 C 1.36120360 0.01076062 1.33026043 -0.93633182 -5.60215922 1.65329420 C 0.01345998 1.33145137 1.37025365 -5.47081932 -0.93110209 -1.71591635 C 2.67981227 0.01772534 0.01393397 1.87343904 1.30561064 1.11506801 C 4.07416480 1.33131243 0.00917314 -0.78587436 0.95819706 -3.43359272 C 4.03518991 0.00314320 1.36892684 0.30293250 -4.18103511 0.01098871 C 2.69909774 1.33396682 1.33456537 1.19085532 2.25854578 1.49059371 C 5.41959264 0.02680806 0.02552739 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