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=-0.6315319478 stress="1.89780709554724 0.3174016158587223 -0.22889179525080217 0.3174016158587223 1.4615646765653787 -0.08723052383505392 -0.22889179525080217 -0.08723052383505392 1.8902002900844266" pbc="F F F" Ti 0.04852473 0.05473499 -0.08438932 2.83264850 2.38453257 2.70255395 Ti 1.63661615 1.40480033 -0.12280496 -2.91122365 -2.99867550 2.48199353 Ti 1.29869006 0.11041876 1.26735611 -2.22491858 2.44133441 -2.79810048 Ti -0.16466555 1.24148635 1.58611608 2.30349373 -1.82719149 -2.38644700