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=163.80096270662094 stress="-721.5612322025695 -175.43235126065997 -22.79704969823115 -175.43235126065997 -855.4616785448717 415.2744478652196 -22.79704969823115 415.2744478652196 -878.3873798843003" pbc="F F F" Pd 0.07051321 -0.06741065 -0.02555724 -333.10160410 -277.18408569 -36.08462302 Pd 1.56865448 1.24047043 -0.04839031 301.36192408 544.47942444 -506.87973421 Pd 1.75122860 0.13911290 1.54841893 178.06685071 -396.26728260 454.92893433 Pd 0.27007423 1.67859595 1.68700861 -146.32717068 128.97194385 88.03542290