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:Z:I:1:forces:R:3 energy=209.75256897702278 pbc="T T T" Ti -0.12280496 -0.20130994 0.11041876 22 -121.58907207 -197.25743088 -69.13080199 Ti 0.51735611 0.58533445 -0.25851365 22 99.44508727 112.79343068 -169.95372906 Ti 0.83611608 0.03369179 0.77598936 22 145.87789762 -56.52841206 125.62681705 Ti -0.27670350 0.71375436 0.65583543 22 -123.73391282 140.99241227 113.45771400