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

LATTICE_CONSTANT
6

LATTICE_VECTORS
1.00 0.00 0.00
0.00 1.00 0.00
0.00 0.00 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

