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=6.246567452893975 stress="-54.354111421307046 6.9261515814143895 -14.459462894964815 6.9261515814143895 -42.34694204137062 -6.305744298416716 -14.459462894964815 -6.305744298416716 -57.12541882899559" pbc="F F F" Pd 0.19178619 0.17895518 0.29140871 -24.57242183 -18.56402588 -38.84163068 Pd 1.61455359 1.53253581 0.14904689 10.34584579 12.53662773 -8.11700127 Pd 1.28091226 0.10609294 1.46603997 30.59332668 -15.21253235 29.91662430 Pd -0.19401975 1.32157598 1.51361598 -16.36675065 21.23993050 17.04200766