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=15.179874532863877 stress="-67.66509566949735 23.25830757829974 1.6997347812833112 23.25830757829974 -58.75023392947645 4.064604386140594 1.6997347812833112 4.064604386140594 -46.09682736547303" pbc="F F F" Pd 0.23171545 0.18190327 -0.17816502 -12.61021701 -11.28195310 -14.95316509 Pd 1.71219253 1.42485375 0.12990665 16.27187455 16.75886170 -13.95935135 Pd 1.28220450 0.28278197 1.56210000 37.62554780 -42.31904083 18.98237873 Pd 0.13362859 1.32702941 1.57034430 -41.28720534 36.84213223 9.93013770