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=7.237837890187673 stress="-2.739151143782193 0.05444916404667609 -0.14752784704349792 0.05444916404667609 -2.8563963011223943 -0.04960641988164193 -0.14752784704349792 -0.04960641988164193 -1.8432526095721375" pbc="T T F" Ti -0.23772825 0.13107567 0.20876017 1.30512483 -4.93687063 -17.11561065 Ti 1.43759557 1.49350828 0.01200566 -3.22948137 2.87113631 -17.02640503 Ti 1.13781391 0.03982750 1.71736712 3.41978082 -2.00991733 17.03009957 Ti -0.15994823 1.46333106 1.41996713 -1.49542428 4.07565165 17.11191612