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=-37.68853214365114 stress="-0.0004789633370458918 -1.9502296923444034e-05 -0.00012606906470734967 -1.9502296923444034e-05 -0.00048187806384466646 5.964510017091236e-06 -0.00012606906470734967 5.964510017091236e-06 -0.0005256043829969944" free_energy=-37.68853214365114 pbc="F F F" Ti 20.93987678 20.98818032 21.16923247 -0.25252001 -0.30703647 -0.54794407 Ti 22.64302402 22.35498893 22.51741225 -2.59797893 -1.76955166 0.03459428 Ti 24.20947124 20.85512851 21.05280714 -0.20286934 -1.85238333 -1.41761311 Ti 25.41333883 22.52762600 22.37241235 4.09980583 -1.80676907 2.54199088 Ti 20.95333322 24.01044409 20.98407176 -0.77977852 -0.31498999 -0.83248153 Ti 22.43858073 25.25205420 22.65488783 -2.62572953 3.85551289 -3.46498861 Ti 24.05988540 23.70245745 21.16431082 -1.46666470 3.19216170 -4.61093807 Ti 25.31425730 25.48844065 22.53277713 1.70432634 1.78684154 -1.59027669 Ti 20.89971974 20.87366136 23.97291425 -0.56216329 -0.64993007 0.29937359 Ti 22.28219307 22.71813893 25.26716069 2.45511199 -4.61255313 3.73588147 Ti 24.19410236 20.83096497 24.13427945 -2.20278414 -2.94202046 -1.54359109 Ti 25.43300593 22.22002482 25.27696427 2.35728843 2.55510705 2.25829706 Ti 20.91661558 23.96512192 24.22586561 -4.64879702 2.18996765 -1.92258928 Ti 22.79391194 25.22614529 25.52103145 -1.27184462 3.44653670 4.17372796 Ti 23.77761356 24.18220204 23.89362841 5.05988455 -3.20305297 1.33069793 Ti 25.70005855 25.29646352 25.05767845 0.93471297 0.43215962 1.55585928