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=-3.0985072011267585 stress="-17.883798969903374 2.4672395390012474 -2.7050249817311176 2.4672395390012474 -33.701647955362766 -0.49920023356638055 -2.7050249817311176 -0.49920023356638055 -33.0482662399678" pbc="F F F" Pd -0.23077820 -0.21770305 0.02031036 -5.21991128 -10.29199993 -11.40118623 Pd 1.45174604 1.52015752 -0.12029223 1.55905557 11.69616209 -10.40476738 Pd 1.77711528 -0.12128882 1.25213077 7.78887798 -11.49031679 9.50402508 Pd -0.13906670 1.21824351 1.63616082 -4.12802227 10.08615464 12.30192853