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=2.7520774579387086 stress="-15.660409936909144 0.3645764377054329 -0.23456577277307034 0.3645764377054329 -11.595042470251633 -0.23490797405568564 -0.23456577277307034 -0.23490797405568564 -11.724699606095554" pbc="F F F" Pd 0.12968218 0.21980528 0.29977655 -5.32471150 -5.34583343 -5.66594068 Pd 1.68543805 1.45460942 0.07327937 4.17772502 4.28144896 -4.28567496 Pd 1.69989723 0.12961200 1.37425859 5.91778241 -4.57301544 4.29647494 Pd 0.15720406 1.26564846 1.38507600 -4.77079593 5.63739991 5.65514071