16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-78.27742475641675 stress="-0.0008949277095930609 -8.357683224345364e-05 -0.00010765511901883937 -8.357683224345364e-05 -0.0007254954624690853 -3.6088581668803995e-05 -0.00010765511901883937 -3.6088581668803995e-05 -0.0009552183948177799" pbc="F F F" Zr 21.18365717 21.20288723 21.08343331 -2.19916729 -2.36957026 -4.58721694 Zr 22.29585403 22.44809454 22.72094491 -0.08816966 6.26692862 -4.85736485 Zr 24.22965093 21.18190327 20.82183498 -0.32899280 -1.37960579 -1.73358158 Zr 25.71219253 22.42485375 22.62990665 3.65591696 0.39901406 -1.46901151 Zr 20.78220450 24.56465436 21.06210000 -2.00479098 -0.72580268 -2.87814920 Zr 22.63362859 25.32702941 22.57034430 -0.52336948 9.19872641 -3.93090650 Zr 24.05853665 24.05473499 20.91561068 -0.06609383 -1.48414941 -4.47517803 Zr 25.63661615 25.40480033 22.36172843 2.47595069 2.10651414 0.51569042 Zr 20.79869006 21.11041876 23.76735611 -6.14842438 -4.46498383 3.04871985 Zr 22.43703565 22.11942000 25.58611608 -1.04239950 1.06720460 4.63840834 Zr 23.75273565 21.02598936 23.72329650 3.71098158 -7.82855582 1.12404363 Zr 25.46375436 22.40666145 25.25559716 2.08201053 -0.41509405 3.36499681 Zr 20.70178472 24.54498924 23.77290972 -5.28803327 -1.08223362 2.63714114 Zr 22.52392589 25.36136659 25.55835534 -0.70657140 2.25833607 3.55427262 Zr 23.74645637 23.98193431 23.92001865 5.21342965 -2.71992059 3.90721628 Zr 25.55569096 25.31385818 25.25598017 1.25772319 1.17319215 1.14091952