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=-1.656463819040261 stress="-1.086917495343788 0.003655819174664337 -0.010985306492359341 0.003655819174664337 -0.8291296961452161 -0.003901224994746223 -0.010985306492359341 -0.003901224994746223 -0.8440848008698315" pbc="T F F" Pd 0.05791531 0.08501927 0.06603388 -1.27854229 -6.20303430 -8.00038242 Pd 1.47360598 1.66501753 0.22580078 0.94275325 8.41123376 -7.26599294 Pd 1.42866320 0.18883157 1.49955875 1.62449662 -9.61278655 7.32605851 Pd 0.04313966 1.44832183 1.75980354 -1.28870757 7.40458708 7.94031684