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=-2.08489183555 stress="-4.652290281217678 0.5446119787842728 0.10988739175227548 0.5446119787842728 -3.870684155695317 0.2757676986899042 0.10988739175227548 0.2757676986899042 -5.2595039461995645" pbc="F F F" Ti -0.28678287 0.21736445 -0.21395222 -5.36540903 -5.05211141 -5.63106422 Ti 1.70384132 1.29224623 -0.26785036 5.51442924 5.58253746 -8.70886395 Ti 1.50041025 0.25551247 1.35444624 6.18573587 -8.84139415 8.52572359 Ti -0.00811119 1.56482696 1.34620060 -6.33475609 8.31096810 5.81420459