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=42.3682773665138 pbc="T T T" Pd 0.12968218 0.21980528 0.29977655 46 19.27363959 -9.64807993 -13.01560200 Pd 0.93543805 0.70460942 0.07327937 46 -17.60639223 -10.78537995 11.44412799 Pd 0.94989723 0.12961200 0.62425859 46 -21.66821487 9.95808812 -8.17525670 Pd 0.15720406 0.51564846 0.63507600 46 20.00096751 10.47537176 9.74673071