ATOMIC_SPECIES
Fe1 1.000 Fe_ONCV_PBE-1.0.upf
Fe2 1.000 Fe_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
Fe_gga_9au_100Ry_4s2p2d1f.orb
Fe_gga_9au_100Ry_4s2p2d1f.orb

LATTICE_CONSTANT
8.190

LATTICE_VECTORS
 1.00    0.50     0.50
 0.50    1.00     0.50
 0.50    0.50     1.00
ATOMIC_POSITIONS
Direct

Fe1
1.0
1
0.00            0.00            0.00            1        1       1

Fe2
-1.0
1
0.50            0.50            0.50            1        1       1


