4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=8.667383562270022 stress="-2.365997041273414 -0.6003091304778193 -0.06936380060227455 -0.6003091304778193 -1.9956239581424606 -0.06357899330130895 -0.06936380060227455 -0.06357899330130895 -1.7437409570818445" pbc="T F F" Ti 0.31847822 0.09995250 0.26120756 -2.13791902 -18.67439497 -21.30377095 Ti 1.53209504 1.75226748 0.04396501 -1.41121445 11.12121955 -11.22742881 Ti 1.57236142 0.20379337 1.73854596 -13.29974166 -24.64121072 16.87078498 Ti -0.23077820 1.28229695 1.52031036 16.84887513 32.19438614 15.66041478