ATOMIC_SPECIES
Ni1 58.693 Ni_ONCV_PBE-1.0.upf
Ni2 58.693 Ni_ONCV_PBE-1.0.upf
O   15.999 O_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
Ni_gga_9au_100Ry_4s2p2d1f.orb
Ni_gga_9au_100Ry_4s2p2d1f.orb
O_gga_7au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
7.884

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

Ni1
2.0
1
0.00            0.00            0.00            1        1       1

Ni2
-2.0
1
0.50            0.50            0.50            1        1       1

O
0.0
2
0.25            0.25            0.25            1        1       1
0.75            0.75            0.75            1        1       1
