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=35.761752509923355 stress="-6.745915174238795 0.3604445850794153 0.5446976818530558 0.3604445850794153 -3.9248046570133006 0.0065352605632650945 0.5446976818530558 0.0065352605632650945 -5.185340023754403" pbc="T F T" Pd -0.01036258 0.01361598 -0.14801295 -40.52799288 -30.81272666 54.64472222 Pd 1.47567541 1.56329927 -0.06254558 25.76041889 30.27769942 45.83040150 Pd 1.27846858 0.09073906 1.77219963 47.73637870 -37.76693046 -59.28953726 Pd 0.13670048 1.63132919 1.75978669 -32.96880471 38.30195770 -41.18558647