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=26.847536183106588 stress="-89.06658028781109 9.863471966772236 -20.317300270374666 9.863471966772236 -74.04661582971184 -10.209450187941904 -20.317300270374666 -10.209450187941904 -95.61469984029497" pbc="F F F" Ti 0.19178619 0.17895518 0.29140871 -39.05213044 -32.82830347 -63.46661381 Ti 1.61455359 1.53253581 0.14904689 18.41445871 22.83146100 -14.92119687 Ti 1.28091226 0.10609294 1.46603997 48.02202715 -26.09644993 48.67287116 Ti -0.19401975 1.32157598 1.51361598 -27.38435543 36.09329240 29.71493952