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=69.56051702988475 stress="-8.673429456962461 -0.3205662245685928 -2.096171878520331 -0.3205662245685928 -5.659415567545432 -0.503013079402077 -2.096171878520331 -0.503013079402077 -7.324875972268683" pbc="T F T" Pd 0.04981421 0.07022621 -0.16450487 -40.97720869 -47.74749013 59.91482109 Pd 1.20641190 1.76767637 -0.28756333 106.92831941 60.24936499 107.07289019 Pd 1.29960156 0.17842378 1.64553500 63.57108279 -53.05636979 -49.66828757 Pd 0.14594781 1.45785282 1.74717822 -129.52219351 40.55449494 -117.31942372