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=7.216303618391445 stress="-54.1808296114638 1.1748209924405262 -4.9298418648828815 1.1748209924405262 -52.275685721764965 1.1541825715540988 -4.9298418648828815 1.1541825715540988 -54.03059453557908" pbc="F F F" Ti -0.14801295 -0.02432459 0.06329927 -22.36661786 -15.73411107 -21.71964767 Ti 1.43745442 1.27846858 -0.00548572 14.63619075 19.65257320 -16.50893328 Ti 1.34126820 -0.15859300 1.31668137 21.42311690 -22.56033880 20.05719314 Ti -0.08013605 1.24396547 1.59073906 -13.69268979 18.64187667 18.17138781