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=-14.3596001514 pbc="T F F" Ti 0.00710170 -0.10737673 0.05013808 22 -2.16716578 -3.18266214 -3.08173809 Ti 1.39743445 1.37511494 -0.08685450 22 0.99283026 3.17479755 -4.32035952 Ti 1.29364079 0.01227909 1.55473499 22 2.05180402 -2.24491229 4.47269485 Ti -0.08438932 1.63661615 1.40480033 22 -0.87746578 2.25277932 2.92940058