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=1.4835694136969244 stress="-8.745947025855015 -1.9482775241149535 -1.5903552324901828 -1.9482775241149535 -6.438975014712545 1.8320376564498302 -1.5903552324901828 1.8320376564498302 -8.533441672234959" pbc="F F F" Pd 0.14720807 0.08942344 -0.04293576 -4.32308346 -1.69985635 -3.65759734 Pd 1.77559981 1.21321713 0.21736445 3.27483541 4.41147418 -3.10268110 Pd 1.28604778 0.20384132 1.29224623 2.47655635 -4.09345390 6.08060839 Pd -0.26785036 1.50041025 1.75551247 -1.42830829 1.38183607 0.67967006