16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-32.7375774386 stress="-0.14716102453229798 -0.026037081362630606 -0.06868810713871026 -0.026037081362630606 -0.13573202931353415 -0.012367919414084261 -0.06868810713871026 -0.012367919414084261 -0.17607240098737845" pbc="F F F" Ti -0.19767919 -0.16280457 0.25413394 -0.11365218 0.38970805 -0.60171819 Ti 1.43381326 1.63132919 1.75978669 -1.41124173 -1.27500521 -1.12009934 Ti 2.64594377 -0.01425063 0.18365717 -0.25022682 -0.66120330 -1.63879410 Ti 4.70288723 1.28686289 1.19670569 1.01763894 1.51856325 0.24386641 Ti -0.05190546 3.22094491 0.23171545 -1.21911314 -0.91451380 -1.23293891 Ti 1.68190327 4.32183498 1.71219253 -2.40330833 6.12172681 -1.87311207 Ti 2.92278922 3.12990665 -0.21779550 0.44095707 -0.77218962 -0.65884752 Ti 4.79279389 4.54663339 1.73532979 0.16138072 -0.16220397 -0.76341495 Ti -0.17297059 0.07034430 2.92645838 -0.89050872 -1.23693278 0.31244643 Ti 1.27377885 1.41643670 4.63661615 1.63373147 0.05231011 0.82309478 Ti 3.15104131 -0.12280496 2.79869006 -1.58178954 -1.55724325 0.72033670 Ti 4.75344278 1.26735611 4.19032338 0.28845280 1.00685699 0.48205715 Ti -0.25851365 3.08611608 3.14412039 -2.42150480 -0.35805976 -0.56762715 Ti 1.52598936 4.22329650 4.46375436 0.99026773 1.26003980 1.87734137 Ti 2.90583543 2.96506840 2.70178472 6.11435358 -3.38837195 3.41011739 Ti 4.79874826 4.12803822 4.43370900 -0.35543705 -0.02348137 0.58729201