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=-7.622294430638416 stress="-25.78241562547648 -9.920025917635458 -4.946678715631424 -9.920025917635458 -25.10732062517306 4.928888727544081 -4.946678715631424 4.928888727544081 -20.125512939983757" pbc="F F F" Pd 0.00743936 -0.19824950 0.07094765 -14.35688473 -10.66735561 -5.95343727 Pd 1.34738753 1.38529253 -0.02923225 9.66107321 13.54003068 -7.32564133 Pd 1.65075815 -0.23589800 1.46545771 7.52523817 -4.80792784 9.37833783 Pd -0.15892402 1.60260142 1.68947213 -2.82942665 1.93525277 3.90074076