ATOMIC_SPECIES
O 15.9994 O_ONCV_PBE-1.0.upf
H 1.00794 H_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1.8897261246257702

LATTICE_VECTORS
12.000000000000 0.000000000000 0.000000000000
0.000000000000 12.000000000000 0.000000000000
0.000000000000 0.000000000000 12.000000000000

ATOMIC_POSITIONS
Direct
O
0.0
1
0.500000000000 0.500000000000 0.500000000000 1 1 1
H
0.0
2
0.500000000000 0.563603250000 0.450307583333 1 1 1
0.500000000000 0.436396750000 0.450307583333 1 1 1
