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=-37.6885321437 stress="-0.3495643869984749 -0.01423346620046784 -0.0920096631940613 -0.01423346620046784 -0.35169165772646993 0.004353110408679784 -0.0920096631940613 0.004353110408679784 -0.3836046722892528" pbc="F F F" Ti -0.06012322 -0.01181968 0.16923247 -0.25252001 -0.30703647 -0.54794407 Ti 1.64302402 1.35498893 1.51741225 -2.59797893 -1.76955166 0.03459428 Ti 3.20947124 -0.14487149 0.05280714 -0.20286934 -1.85238333 -1.41761311 Ti 4.41333883 1.52762600 1.37241235 4.09980583 -1.80676907 2.54199088 Ti -0.04666678 3.01044409 -0.01592824 -0.77977852 -0.31498999 -0.83248153 Ti 1.43858073 4.25205420 1.65488783 -2.62572953 3.85551289 -3.46498861 Ti 3.05988540 2.70245745 0.16431082 -1.46666470 3.19216170 -4.61093807 Ti 4.31425730 4.48844065 1.53277713 1.70432634 1.78684154 -1.59027669 Ti -0.10028026 -0.12633864 2.97291425 -0.56216329 -0.64993007 0.29937359 Ti 1.28219307 1.71813893 4.26716069 2.45511199 -4.61255313 3.73588147 Ti 3.19410236 -0.16903503 3.13427945 -2.20278414 -2.94202046 -1.54359109 Ti 4.43300593 1.22002482 4.27696427 2.35728843 2.55510705 2.25829706 Ti -0.08338442 2.96512192 3.22586561 -4.64879702 2.18996765 -1.92258928 Ti 1.79391194 4.22614529 4.52103145 -1.27184462 3.44653670 4.17372796 Ti 2.77761356 3.18220204 2.89362841 5.05988455 -3.20305297 1.33069793 Ti 4.70005855 4.29646352 4.05767845 0.93471297 0.43215962 1.55585928