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

LATTICE_CONSTANT
1.889726877774355

LATTICE_VECTORS
8.0 0 0
1.0 8.0 0
0.6 0.4 8.0

ATOMIC_POSITIONS
Cartesian
O
0
2
2.0 2.0 2.0 1 1 1
2.0 2.0 5.0 1 1 1
H
0
4
2.758602 2.0 2.504284 1 1 1
1.241398 2.0 2.504284 1 1 1
2.758602 2.0 5.504284 1 1 1
1.241398 2.0 5.504284 1 1 1
