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)
2.6145931276141408 <-- Lattice constant (note that this is a3D/sqrt(2)
4           <-- Number of layers
2.1127 2.135 2.135 <-- Interlayer spacings going from top of slap to bottom of slab with molecule impacting on top

