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=-5.675058728833203 stress="-21.376731202013467 -4.495068254704825 3.5927054412931874 -4.495068254704825 -19.18554312074074 -3.9884454729592878 3.5927054412931874 -3.9884454729592878 -21.621302587495023" pbc="F F F" Ti 0.20379337 0.23854596 -0.23077820 -5.42517681 -11.30344610 -10.15945490 Ti 1.28229695 1.52031036 0.18745344 12.72362679 10.09845670 -4.54422994 Ti 1.52015752 -0.12029223 1.77711528 3.21768546 -3.65801350 3.70902707 Ti -0.12128882 1.25213077 1.23125112 -10.51613543 4.86300290 10.99465777