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:Z:I:1:forces:R:3 energy=41.2884570893 pbc="F F T" Pd 0.58477418 0.13018009 -0.27344347 46 -66.28913364 -45.03144904 4.88595386 Pd 1.77525869 1.47414171 -0.14006217 46 41.78092228 41.67199196 -2.65035506 Pd 1.45609608 -0.06923807 1.21760569 46 67.00774754 -48.40301974 4.74615670 Pd 0.28296567 1.32964024 1.32851325 46 -42.49953618 51.76247682 -6.98175551