ATOMIC_SPECIES
H 1.008 ../potential/H_ONCV_PBE-1.0.upf
O 15.9994 ../potential/O_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1

LATTICE_VECTORS
28 0 0 #latvec1
0 28 0 #latvec2
0 0 28 #latvec3

ATOMIC_POSITIONS
Direct

H #label
0 #magnetism
2 #number of atoms
0.569506832635  0.670672815952  0.298608009885  m  1  1  1
0.492739894831  0.735763306214  0.271083990138  m  1  1  1

O #label
0 #magnetism
1 #number of atoms
0.517665952098  0.703037854903  0.321935083854  m  1  1  1
