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:forces:R:3 energy=49.32526850007746 stress="-9.905223604070276 1.0369666437701033 -0.10964806404451129 1.0369666437701033 -8.9262928557091 2.43536302425062 -0.10964806404451129 2.43536302425062 -10.352100245646163" pbc="T F T" Pd 0.05791531 0.08501927 0.06603388 -26.91658573 -78.77616699 21.09058721 Pd 1.50693356 1.66501753 0.22580078 11.03544227 64.17147886 -16.92933254 Pd 1.42866320 0.18883157 1.49955875 53.26351823 -95.04517567 26.46581517 Pd 0.04313966 1.44832183 1.75980354 -37.38237477 109.64986380 -30.62706984