ATOMIC_SPECIES
O 15.999 O_ONCV_PBE-1.0.upf
H 1.008 H_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
O_gga_6au_60Ry_2s2p1d.orb
H_gga_6au_60Ry_2s1p.orb

NUMERICAL_DESCRIPTOR
jle.orb

LATTICE_CONSTANT
1.8897268777743552

LATTICE_VECTORS
14 0 0
0 14 0
0 0 14

ATOMIC_POSITIONS
Direct
O
0
1
0.500000000000000 0.500000000000000 0.500000000000000 1 1 1
H
0
2
0.571428571428571 0.500000000000000 0.500000000000000 1 1 1
0.481882666842823 0.567614807840235 0.500000000000000 1 1 1
