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=44.518860264828334 stress="-4.5595276386668475 0.2905411695750624 1.4680354968294476 0.2905411695750624 -3.852933154475031 0.8760343793722429 1.4680354968294476 0.8760343793722429 -6.234461279193609" pbc="F F T" Pd 0.29874826 0.05835534 -0.25354363 -46.94487107 -38.23225056 26.65391560 Pd 1.48193431 1.42001865 0.20070203 43.72803747 37.64033006 -23.41626660 Pd 1.20342959 0.28187239 1.51001192 65.35432079 -47.43772562 -11.40855399 Pd 0.10170120 1.37793365 1.21904386 -62.13748719 48.02964613 8.17090500