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=36.3221738584 pbc="F T T" Pd 0.24284348 0.10377621 0.06067148 46 -49.23809544 -2.43524247 -40.21011832 Pd 1.44730467 1.45721989 -0.04563433 46 48.09881929 35.79527950 -39.84239181 Pd 1.69868869 0.21581713 1.25058021 46 39.08963977 -22.60130968 36.42432134 Pd 0.11491577 1.71834691 1.22752636 46 -37.95036363 -10.75872736 43.62818880