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=11.335050741669619 stress="-2.1314114947955667 0.044907455455638554 0.0020736459994275805 0.044907455455638554 -1.5260411382067292 0.001187005985520581 0.0020736459994275805 0.001187005985520581 -2.3680862733322567" pbc="T F T" Ti 0.03848316 0.19178619 0.17895518 5.08320174 -14.87411243 -4.05722169 Ti 1.79140871 1.61455359 0.09583508 -6.42813273 16.56583588 -2.50202523 Ti 1.64904689 0.10609294 1.46603997 -5.27670639 -16.08008557 3.19446616 Ti -0.19401975 1.32157598 1.51361598 6.62163738 14.38836212 3.36478075