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=1234724.84432 pbc="T T T" Pd 0.06939037 0.14421858 0.19118295 46 -4487296.81980984 -1586548.95943543 -1009094.44925755 Pd 0.67588762 0.46223271 0.14161015 46 3514317.84386156 9184764.56958709 -10212115.84901582 Pd 0.65411058 0.09185713 0.62252202 46 1222588.16525289 -7978355.67311506 10879242.08043246 Pd 0.10038726 0.69057204 0.89165705 46 -249609.18930462 380140.06296339 341968.21784090