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=3.411568777448646 stress="-1.0710402797014111 -0.03354299275450506 0.0309628196369967 -0.03354299275450506 -1.0244322110542117 0.03017511500438492 0.0309628196369967 0.03017511500438492 -1.5242593811219118" pbc="F F T" Pd 0.01258782 0.16911338 -0.19545900 -11.39313123 -9.17344073 3.77978705 Pd 1.62365747 1.45588739 -0.04702487 10.75870028 8.73668067 2.16299952 Pd 1.34681875 0.04737131 1.53238783 10.37227566 -12.03409964 -2.67074117 Pd 0.24404962 1.36810690 1.62937675 -9.73784471 12.47085970 -3.27204541