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=1.04535620445 stress="-2.4027552380477744 -2.1026859225591235 0.1355758477062315 -2.1026859225591235 -2.6835664689103313 0.29223551482603416 0.1355758477062315 0.29223551482603416 -7.335319043647469" pbc="F F F" O 0.29768454 -0.01726309 -0.13934333 -6.94818458 -6.56246262 -8.89888324 O 1.67089611 1.47011124 -0.29779682 6.47829926 6.79073043 -8.29475738 Ti 1.21755886 0.06753162 1.39917148 1.28384759 -0.95968795 9.63642359 Ti 0.55830011 1.34838096 1.71005355 -0.81396227 0.73142015 7.55721704