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=3.6063343747259253 stress="-50.96908299405659 19.33659015983519 2.46325247940203 19.33659015983519 -43.57166300323364 2.726056270550238 2.46325247940203 2.726056270550238 -39.11623452247703" pbc="F F F" Pd 0.23171545 0.18190327 -0.17816502 -8.44574060 -7.81977488 -12.61607909 Pd 1.71219253 1.42485375 0.12990665 11.79681778 11.56826986 -11.92920098 Pd 1.28220450 0.28278197 1.56210000 28.88400121 -32.06651490 15.32787297 Pd 0.13362859 1.32702941 1.57034430 -32.23507838 28.31801992 9.21740710