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=-5.656029284584441 stress="-15.089478906042036 -2.1655780067148034 2.434026743381827 -2.1655780067148034 -13.469562307238325 0.8136942934142075 2.434026743381827 0.8136942934142075 -13.653289700569236" pbc="F F F" Ti -0.17769156 -0.08950840 -0.27713580 -4.31946115 -4.48546133 -2.99178764 Ti 1.43858073 1.25205420 0.15488783 7.59289812 6.06411529 -5.61227870 Ti 1.55988540 -0.29754255 1.66431082 1.59881315 -4.38145641 3.84172112 Ti -0.18574270 1.48844065 1.53277713 -4.87225012 2.80280245 4.76234522