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)
2.860591412 <-- Lattice constant
4           <-- Number of layers
2.3645 2.2600 2.3625 <-- Interlayer spacings
