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=396.37578566 pbc="T T F" Pd 0.30827452 -0.22072001 0.11920368 46 -383.77071955 396.59485650 -152.17927685 Pd 1.25162633 1.54969476 0.31321148 46 550.14484574 -59.17401678 -548.06759661 Pd 1.46864501 0.48380133 1.48663787 46 954.09351662 -841.48902883 356.87798713 Pd 0.20242078 1.23594820 1.49986735 46 -1120.46764281 504.06818911 343.36888633