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=36.42109030394397 stress="-4.746748825575885 -1.6752200833870177 1.494760033566669 -1.6752200833870177 -6.023592882721836 -0.4957803148991926 1.494760033566669 -0.4957803148991926 -3.877178318916784" pbc="F T F" Pd 0.22491354 -0.02571688 0.03607761 -60.85670906 -58.27329513 -30.43157198 Pd 1.23867883 1.22861247 0.08968929 100.87152514 49.16580440 -49.44559991 Pd 1.71863911 -0.11769072 1.73624620 12.69460802 -2.09950958 12.47985458 Pd 0.09325006 1.41952625 1.31382609 -52.70942410 11.20700032 67.39731730