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=28.762729311767092 stress="-3.3321357364515936 -0.503153356745588 0.7075104014653365 -0.503153356745588 -5.95476266830752 0.6672376794659259 0.7075104014653365 0.6672376794659259 -5.620073391500657" pbc="F T T" Pd 0.22094491 0.23171545 0.18190327 -31.18738201 0.69219096 -7.30144922 Pd 1.32183498 1.71219253 -0.07514625 30.45801047 -25.67695791 17.24475642 Pd 1.62990665 -0.21779550 1.78278197 36.07115755 29.22640458 -25.30082744 Pd 0.06210000 1.70397289 1.32702941 -35.34178600 -4.24163762 15.35752023