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=18.410167480789223 stress="-3.352508522409441 -0.010020300381949754 0.33104086366223734 -0.010020300381949754 -4.051852812083329 -0.306394023166328 0.33104086366223734 -0.306394023166328 -3.737862653051072" pbc="F F T" Pd 0.10170120 0.00082602 0.24624097 -27.29620056 -41.31727700 -27.18143617 Pd 1.64302402 1.35498893 0.11042859 35.59512302 34.83362452 -35.68634979 Pd 1.70947124 0.05280714 1.41333883 23.21879048 -34.58428484 27.48154663 Pd 0.15488783 1.55988540 1.20245745 -31.51771294 41.06793732 35.38623933