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)
2.974912079 <-- Lattice constant
4           <-- Number of layers
2.41508082314 2.40440460862 2.4152809871 <-- Interlayer spacings
