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=-3.615811184560849 stress="-22.148910791923775 0.48642014071993467 -1.9498723742968327 0.48642014071993467 -20.18904955810634 0.4006016024382877 -1.9498723742968327 0.4006016024382877 -21.03062846436774" pbc="F F F" Pd -0.14801295 -0.02432459 0.06329927 -9.11698529 -6.08082133 -8.48148229 Pd 1.43745442 1.27846858 -0.00548572 6.00220842 7.56512178 -6.39804241 Pd 1.34126820 -0.15859300 1.31668137 8.73867081 -8.70964341 7.79777036 Pd -0.08013605 1.24396547 1.59073906 -5.62389394 7.22534295 7.08175434