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=-15.736290545657862 stress="7.012973548531494 1.2077737007371998 -0.6648276650141127 1.2077737007371998 -1.6312152269258187 0.5240255797942126 -0.6648276650141127 0.5240255797942126 4.918957893292869" pbc="T T F" Pd 0.03310309 -0.00525683 0.23956773 35.56141803 32.44466200 73.97187728 Al 1.22557373 1.40977949 0.14408857 -42.04881562 -15.47999495 41.14875601 Mn 1.47537525 0.20902946 1.29590009 -22.46567300 -26.34063824 -85.37185729 Al 0.16265408 1.45874788 1.54052745 28.95307058 9.37597119 -29.74877600