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=0.8242830057886708 stress="-9.044875789174357 -1.3013538408798366 0.7496829444337108 -1.3013538408798366 -7.938987586750362 -0.9807575374704145 0.7496829444337108 -0.9807575374704145 -7.8678546934247215" pbc="F F F" Pd -0.05031310 0.29594673 0.15710459 -3.69957136 -4.56815192 -3.27188604 Pd 1.49042854 1.35687199 -0.02335587 3.76346333 3.21596237 -3.04749341 Pd 1.74122900 0.02201293 1.31634348 1.78689337 -1.99389925 2.25760746 Pd -0.07465759 1.48566276 1.31443107 -1.85078534 3.34608881 4.06177200