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=-8.964614004099358 stress="-12.637961588962261 -2.3043681429241096 1.2811121407061945 -2.3043681429241096 -13.701475141502637 0.5943073284637261 1.2811121407061945 0.5943073284637261 -10.745614588904989" pbc="F F F" Al 0.08501927 0.06603388 0.00693356 -3.16429491 -4.90523257 -3.83522666 Al 1.66501753 1.72580078 0.20010212 5.65946843 5.28612265 -4.67852497 Pd 1.68883157 0.10294729 1.54313966 1.92755456 -3.50458434 4.17967050 Mn -0.05167817 1.68498551 1.21330765 -4.42272808 3.12369425 4.33408113