import "al_cell.lt" # <- this defines the unit cell for aluminum # Periodic boundary conditions: write_once("Data Boundary") { 0.0 40.50 xlo xhi 0.0 40.50 ylo yhi 0.0 40.50 zlo zhi } # The next command generates an array of 10x10x10 AlCell unit cells with # spacing 4.05 Angstroms. unitcells = new AlCell [10].move(0.00, 0.00, 4.05) [10].move(0.00, 4.05, 0.00) [10].move(4.05, 0.00, 0.00) ################################################################ # The next command is not necessary: # create_var { $mol } # <-This forces all of the Al atoms in the crystal # # to share the same molecule ID number. # # Molecule ID numbers are not necessary. Ignore this. #