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=-0.34988123678629546 stress="-4.109674099568606 -1.8082032895485214 -0.5093827939523388 -1.8082032895485214 -4.2449714068085465 -0.5862822109004338 -0.5093827939523388 -0.5862822109004338 -4.134541110415289" pbc="F F F" Pd 0.21980528 0.29977655 0.18543805 -2.51511737 -2.71153453 -2.26865973 Pd 1.45460942 1.57327937 0.19989723 2.14198888 2.41842913 -0.40322787 Pd 1.62961200 -0.12574141 1.65720406 0.87673185 -0.56061570 1.19141076 Pd -0.23435154 1.38507600 1.79768454 -0.50360336 0.85372109 1.48047684