#  Hashes begin a comment
#  Empty lines are to be ignored.


#  fcc Al
#  Equilibrium lattice parameter: 3.98 A (LDA)
#
  atom 0. 0. 0. Al
  atom_frac 0.5 0.5 0.5 Al
# 
# atom gives cartesian coordinates
# atom_frac gives direct (fractional) coordinates
# both can be used simultaneously
#
# unit cell
#
lattice_vector  1.99 1.99 0.0
lattice_vector  0.0  1.99 1.99
lattice_vector  1.99 0.0  1.99
