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:Z:I:1:forces:R:3 energy=48.100274943 pbc="T F F" Pd 0.03687099 0.25939052 0.30142359 46 -1.79372395 -97.70282493 -83.38045009 Pd 1.66326186 1.50762000 -0.01125402 46 -19.71690600 32.68224043 -37.16051144 Pd 1.32508788 0.29911049 1.64646878 46 35.71550372 -41.06360847 43.49947234 Pd 0.00205895 1.43437471 1.35074955 46 -14.20487377 106.08419297 77.04148919