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=36.1013218612 pbc="F T F" Pd 0.01299661 -0.22334428 0.46192050 46 -48.83939382 31.66867011 -73.44832870 Pd 1.66516616 1.31769543 0.43617264 46 24.52862749 -4.05384059 -39.96852075 Pd 1.38866340 -0.19397772 1.51937637 46 58.29225497 20.00858246 61.23522207 Pd 0.01146229 1.58921284 1.72394592 46 -33.98148864 -47.62341198 52.18162738