C3v         <-- Symmetry
1 3         <-- Units for distance and energy in dataset (0 = bohr, 1 = angstrom, 2 = hartree, 3 = ev, 4 = kcal/mol, 5 = kj/mol)
2.8442567 <-- Lattice constant (a3D/sqrt(2))
4           <-- Number of layers
2.35576846 2.247557891 2.3526063226 <-- Interlayer spacings
