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=7.216296810524508 stress="-54.181225576290856 1.1746499023797288 -4.929994951294351 1.1746499023797288 -52.27514687660016 1.1546542246450926 -4.929994951294351 1.1546542246450926 -54.02989350064977" pbc="F F F" Ti -0.14801295 -0.02432459 0.06329927 -22.36688217 -15.73382956 -21.71929488 Ti 1.43745442 1.27846858 -0.00548572 14.63632710 19.65257703 -16.50883506 Ti 1.34126820 -0.15859300 1.31668137 21.42323728 -22.56020908 20.05721282 Ti -0.08013605 1.24396547 1.59073906 -13.69268220 18.64146161 18.17091712