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=-32.7375774384646 stress="-0.00022981974760727711 -4.066182255898732e-05 -0.00010726945871936054 -4.066182255898732e-05 -0.0002119712119310043 -1.9314843228279605e-05 -0.00010726945871936054 -1.9314843228279605e-05 -0.0002749703250844125" free_energy=-32.7375774384646 pbc="F F F" Ti 20.80232081 20.83719543 21.25413394 -0.11365218 0.38970805 -0.60171819 Ti 22.43381326 22.63132919 22.75978669 -1.41124173 -1.27500521 -1.12009934 Ti 23.64594377 20.98574937 21.18365717 -0.25022682 -0.66120330 -1.63879410 Ti 25.70288723 22.28686289 22.19670569 1.01763894 1.51856325 0.24386641 Ti 20.94809454 24.22094491 21.23171545 -1.21911314 -0.91451380 -1.23293891 Ti 22.68190327 25.32183498 22.71219253 -2.40330833 6.12172681 -1.87311207 Ti 23.92278922 24.12990665 20.78220450 0.44095707 -0.77218962 -0.65884752 Ti 25.79279389 25.54663339 22.73532979 0.16138072 -0.16220397 -0.76341495 Ti 20.82702941 21.07034430 23.92645838 -0.89050872 -1.23693278 0.31244643 Ti 22.27377885 22.41643670 25.63661615 1.63373147 0.05231011 0.82309478 Ti 24.15104131 20.87719504 23.79869006 -1.58178954 -1.55724325 0.72033670 Ti 25.75344278 22.26735611 25.19032338 0.28845280 1.00685699 0.48205715 Ti 20.74148635 24.08611608 24.14412039 -2.42150480 -0.35805976 -0.56762715 Ti 22.52598936 25.22329650 25.46375436 0.99026773 1.26003980 1.87734137 Ti 23.90583543 23.96506840 23.70178472 6.11435358 -3.38837195 3.41011739 Ti 25.79874826 25.12803822 25.43370900 -0.35543705 -0.02348137 0.58729201