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=2622.0959813137615 stress="-494.79030435464813 -24.81918640803178 73.5984368183647 -24.81918640803178 -458.3625439862622 -14.03222813983635 73.5984368183647 -14.03222813983635 -291.20932039312765" pbc="T F F" Ti -0.14081609 0.24798300 0.03629832 4474.92817389 -4142.86526157 -3724.75171229 Ti 1.54655898 1.56674725 0.13893816 -3096.37705871 4626.27209121 -1206.38706287 Ti 1.74369724 0.07606907 1.59521308 -4646.49596224 -4963.45309866 2892.49474311 Ti -0.02339624 1.45813562 1.74200183 3267.94484705 4480.04626901 2038.64403205