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)
2.81379 <-- Lattice constant
6           <-- Number of layers
2.324 2.28471 2.27921 2.28314 2.29744 <-- Interlayer spacings
