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=-0.3887104182749675 pbc="F F T" Pd 0.10881314 0.13250256 0.10031152 46 -9.62568093 -8.82777527 -2.64704389 Pd 1.55442580 1.35431870 -0.05486536 46 9.00986119 9.34401700 -2.03871750 Pd 1.63572127 0.05791531 1.23387496 46 7.94902003 -8.78117571 3.26994644 Pd 0.08501927 1.56603388 1.43559676 46 -7.33320029 8.26493398 1.41581495