171 27 atom fcc supercell of fcc with full symmetry & Fm(-3)m & O_h^5 & #225 & cF10 Cr 0.00000000 -5.28000000 -5.28000000 Fe 0.00000000 -3.59040000 -3.59040000 Fe 1.68960000 -5.28000000 -3.59040000 Fe 1.68960000 -3.59040000 -5.28000000 Fe -1.68960000 -5.28000000 -3.59040000 Fe -1.68960000 -3.59040000 -5.28000000 Fe 3.43200000 -5.28000000 -5.28000000 Fe 0.00000000 -1.84800000 -5.28000000 Fe 0.00000000 -5.28000000 -1.84800000 Fe -3.43200000 -5.28000000 -5.28000000 Ni 3.60803520 -1.67196480 -1.67196480 Ni -3.60803520 -1.67201760 -1.67201760 Cr 5.28000000 0.00000000 -5.28000000 Fe 5.28000000 1.68960000 -3.59040000 Fe 5.28000000 -1.68960000 -3.59040000 Fe 3.59040000 0.00000000 -3.59040000 Fe 3.59040000 1.68960000 -5.28000000 Fe 3.59040000 -1.68960000 -5.28000000 Fe 5.28000000 3.43200000 -5.28000000 Fe 5.28000000 0.00000000 -1.84800000 Fe 1.84800000 0.00000000 -5.28000000 Fe 5.28000000 -3.43200000 -5.28000000 Ni 1.67196480 3.60798240 -1.67201760 Ni 1.67201760 -3.60798240 -1.67196480 Cr 5.28000000 -5.28000000 0.00000000 Fe 5.28000000 -3.59040000 1.68960000 Fe 5.28000000 -3.59040000 -1.68960000 Fe 3.59040000 -5.28000000 1.68960000 Fe 3.59040000 -3.59040000 0.00000000 Fe 3.59040000 -5.28000000 -1.68960000 Fe 5.28000000 -1.84800000 0.00000000 Fe 5.28000000 -5.28000000 3.43200000 Fe 1.84800000 -5.28000000 0.00000000 Fe 5.28000000 -5.28000000 -3.43200000 Ni 1.67196480 -1.67201760 3.60798240 Ni 1.67201760 -1.67196480 -3.60798240 Cr -5.28000000 0.00000000 -5.28000000 Fe -5.28000000 1.68960000 -3.59040000 Fe -3.59040000 0.00000000 -3.59040000 Fe -3.59040000 1.68960000 -5.28000000 Fe -3.59040000 -1.68960000 -5.28000000 Fe -5.28000000 -1.68960000 -3.59040000 Fe -1.84800000 0.00000000 -5.28000000 Fe -5.28000000 3.43200000 -5.28000000 Fe -5.28000000 0.00000000 -1.84800000 Fe -5.28000000 -3.43200000 -5.28000000 Ni -1.67196480 3.60803520 -1.67196480 Ni -1.67201760 -3.60803520 -1.67201760 Cr 0.00000000 5.28000000 -5.28000000 Fe 1.68960000 5.28000000 -3.59040000 Fe 1.68960000 3.59040000 -5.28000000 Fe 0.00000000 3.59040000 -3.59040000 Fe -1.68960000 5.28000000 -3.59040000 Fe -1.68960000 3.59040000 -5.28000000 Fe 3.43200000 5.28000000 -5.28000000 Fe 0.00000000 5.28000000 -1.84800000 Fe -3.43200000 5.28000000 -5.28000000 Fe 0.00000000 1.84800000 -5.28000000 Ni 3.60798240 1.67196480 -1.67201760 Ni -3.60798240 1.67201760 -1.67196480 Cr -5.28000000 -5.28000000 0.00000000 Fe -5.28000000 -3.59040000 1.68960000 Fe -3.59040000 -5.28000000 1.68960000 Fe -3.59040000 -3.59040000 0.00000000 Fe -5.28000000 -3.59040000 -1.68960000 Fe -3.59040000 -5.28000000 -1.68960000 Fe -1.84800000 -5.28000000 0.00000000 Fe -5.28000000 -1.84800000 0.00000000 Fe -5.28000000 -5.28000000 3.43200000 Fe -5.28000000 -5.28000000 -3.43200000 Ni -1.67196480 -1.67196480 3.60803520 Ni -1.67201760 -1.67201760 -3.60803520 Cr 0.00000000 0.00000000 0.00000000 Fe 0.00000000 1.68960000 1.68960000 Fe 1.68960000 0.00000000 1.68960000 Fe 1.68960000 1.68960000 0.00000000 Fe 0.00000000 1.68960000 -1.68960000 Fe 1.68960000 0.00000000 -1.68960000 Fe 1.68960000 -1.68960000 0.00000000 Fe 0.00000000 -1.68960000 1.68960000 Fe -1.68960000 0.00000000 1.68960000 Fe -1.68960000 1.68960000 0.00000000 Fe 0.00000000 -1.68960000 -1.68960000 Fe -1.68960000 0.00000000 -1.68960000 Fe -1.68960000 -1.68960000 0.00000000 Fe 3.43200000 0.00000000 0.00000000 Fe 0.00000000 3.43200000 0.00000000 Fe 0.00000000 0.00000000 3.43200000 Fe -3.43200000 0.00000000 0.00000000 Fe 0.00000000 -3.43200000 0.00000000 Fe 0.00000000 0.00000000 -3.43200000 Ni 3.60803520 3.60803520 3.60803520 Ni -3.60803520 3.60798240 3.60798240 Ni 3.60798240 -3.60803520 3.60798240 Ni 3.60798240 3.60798240 -3.60803520 Ni -3.60803520 -3.60803520 -3.60803520 Ni 3.60803520 -3.60798240 -3.60798240 Ni -3.60798240 3.60803520 -3.60798240 Ni -3.60798240 -3.60798240 3.60803520 Cr 5.28000000 5.28000000 0.00000000 Fe 5.28000000 3.59040000 1.68960000 Fe 3.59040000 5.28000000 1.68960000 Fe 5.28000000 3.59040000 -1.68960000 Fe 3.59040000 5.28000000 -1.68960000 Fe 3.59040000 3.59040000 0.00000000 Fe 5.28000000 5.28000000 3.43200000 Fe 1.84800000 5.28000000 0.00000000 Fe 5.28000000 1.84800000 0.00000000 Fe 5.28000000 5.28000000 -3.43200000 Ni 1.67196480 1.67196480 -3.60803520 Ni 1.67201760 1.67201760 3.60803520 Cr 0.00000000 -5.28000000 5.28000000 Fe 1.68960000 -3.59040000 5.28000000 Fe 0.00000000 -3.59040000 3.59040000 Fe 1.68960000 -5.28000000 3.59040000 Fe -1.68960000 -3.59040000 5.28000000 Fe -1.68960000 -5.28000000 3.59040000 Fe 3.43200000 -5.28000000 5.28000000 Fe 0.00000000 -1.84800000 5.28000000 Fe -3.43200000 -5.28000000 5.28000000 Fe 0.00000000 -5.28000000 1.84800000 Ni 3.60798240 -1.67201760 1.67196480 Ni -3.60798240 -1.67196480 1.67201760 Cr 5.28000000 0.00000000 5.28000000 Fe 5.28000000 1.68960000 3.59040000 Fe 3.59040000 1.68960000 5.28000000 Fe 5.28000000 -1.68960000 3.59040000 Fe 3.59040000 0.00000000 3.59040000 Fe 3.59040000 -1.68960000 5.28000000 Fe 5.28000000 3.43200000 5.28000000 Fe 1.84800000 0.00000000 5.28000000 Fe 5.28000000 -3.43200000 5.28000000 Fe 5.28000000 0.00000000 1.84800000 Ni 1.67196480 -3.60803520 1.67196480 Ni 1.67201760 3.60803520 1.67201760 Cr -5.28000000 5.28000000 0.00000000 Fe -3.59040000 5.28000000 1.68960000 Fe -3.59040000 5.28000000 -1.68960000 Fe -3.59040000 3.59040000 0.00000000 Fe -5.28000000 3.59040000 1.68960000 Fe -5.28000000 3.59040000 -1.68960000 Fe -1.84800000 5.28000000 0.00000000 Fe -5.28000000 5.28000000 3.43200000 Fe -5.28000000 1.84800000 0.00000000 Fe -5.28000000 5.28000000 -3.43200000 Ni -1.67201760 1.67196480 3.60798240 Ni -1.67196480 1.67201760 -3.60798240 Cr -5.28000000 0.00000000 5.28000000 Fe -3.59040000 1.68960000 5.28000000 Fe -5.28000000 1.68960000 3.59040000 Fe -3.59040000 0.00000000 3.59040000 Fe -3.59040000 -1.68960000 5.28000000 Fe -5.28000000 -1.68960000 3.59040000 Fe -1.84800000 0.00000000 5.28000000 Fe -5.28000000 3.43200000 5.28000000 Fe -5.28000000 -3.43200000 5.28000000 Fe -5.28000000 0.00000000 1.84800000 Ni -1.67201760 3.60798240 1.67196480 Ni -1.67196480 -3.60798240 1.67201760 Cr 0.00000000 5.28000000 5.28000000 Fe 1.68960000 5.28000000 3.59040000 Fe 1.68960000 3.59040000 5.28000000 Fe 0.00000000 3.59040000 3.59040000 Fe -1.68960000 5.28000000 3.59040000 Fe -1.68960000 3.59040000 5.28000000 Fe 3.43200000 5.28000000 5.28000000 Fe -3.43200000 5.28000000 5.28000000 Fe 0.00000000 1.84800000 5.28000000 Fe 0.00000000 5.28000000 1.84800000 Ni -3.60803520 1.67196480 1.67196480 Ni 3.60803520 1.67201760 1.67201760 **************************************** Primitive vectors a(1) = 0.00000000 5.28000000 5.28000000 a(2) = 5.28000000 0.00000000 5.28000000 a(3) = 5.28000000 5.28000000 0.00000000 Volume = 294.39590400 Reciprocal vectors b(1) = -0.09469697 0.09469697 0.09469697 b(2) = 0.09469697 -0.09469697 0.09469697 b(3) = 0.09469697 0.09469697 -0.09469697 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Cr 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Fe 0.32000000 0.00000000 0.00000000 0.00000000 1.68960000 1.68960000 Fe 0.00000000 0.32000000 0.00000000 1.68960000 0.00000000 1.68960000 Fe 0.00000000 0.00000000 0.32000000 1.68960000 1.68960000 0.00000000 Fe 0.00000000 -0.32000000 0.32000000 0.00000000 1.68960000 -1.68960000 Fe -0.32000000 0.00000000 0.32000000 1.68960000 0.00000000 -1.68960000 Fe -0.32000000 0.32000000 0.00000000 1.68960000 -1.68960000 0.00000000 Fe 0.00000000 0.32000000 -0.32000000 0.00000000 -1.68960000 1.68960000 Fe 0.32000000 0.00000000 -0.32000000 -1.68960000 0.00000000 1.68960000 Fe 0.32000000 -0.32000000 0.00000000 -1.68960000 1.68960000 0.00000000 Fe -0.32000000 0.00000000 0.00000000 0.00000000 -1.68960000 -1.68960000 Fe 0.00000000 -0.32000000 0.00000000 -1.68960000 0.00000000 -1.68960000 Fe 0.00000000 0.00000000 -0.32000000 -1.68960000 -1.68960000 0.00000000 Fe -0.32500000 0.32500000 0.32500000 3.43200000 0.00000000 0.00000000 Fe 0.32500000 -0.32500000 0.32500000 0.00000000 3.43200000 0.00000000 Fe 0.32500000 0.32500000 -0.32500000 0.00000000 0.00000000 3.43200000 Fe 0.32500000 -0.32500000 -0.32500000 -3.43200000 0.00000000 0.00000000 Fe -0.32500000 0.32500000 -0.32500000 0.00000000 -3.43200000 0.00000000 Fe -0.32500000 -0.32500000 0.32500000 0.00000000 0.00000000 -3.43200000 Ni 0.34167000 0.34167000 0.34167000 3.60803520 3.60803520 3.60803520 Ni 1.02500000 -0.34167000 -0.34167000 -3.60803520 3.60798240 3.60798240 Ni -0.34167000 1.02500000 -0.34167000 3.60798240 -3.60803520 3.60798240 Ni -0.34167000 -0.34167000 1.02500000 3.60798240 3.60798240 -3.60803520 Ni -0.34167000 -0.34167000 -0.34167000 -3.60803520 -3.60803520 -3.60803520 Ni -1.02500000 0.34167000 0.34167000 3.60803520 -3.60798240 -3.60798240 Ni 0.34167000 -1.02500000 0.34167000 -3.60798240 3.60803520 -3.60798240 Ni 0.34167000 0.34167000 -1.02500000 -3.60798240 -3.60798240 3.60803520