!/usr/bin/python

import System
from math import sqrt


# a is the lattice parameter in angstroms 
a= 4.0495 
m=4.480389e-26

cell=[
  0.5*a, 0.5*a, 0.0*a,
  0.5*a, 0.0*a, 0.5*a,
  0.0*a,-0.5*a,-0.5*a
]

atoms=[
  [ "Al", m ],
]

sites=[
  [ 0*a,0*a,0*a,             0 ],
]

bonds=[
  [ 0,0, 0.5*a,0.5*a,0.0*a,            10.4578, 10.3657,  0.0000,
                                       10.3657, 10.4578,  0.0000,
                                        0.0000,  0.0000, -2.6322 ],
  [ 0,0, 1.0*a,0.0*a,0.0*a,             2.4314,  0.0000,  0.0000,
                                        0.0000, -0.1351,  0.0000,
                                        0.0000,  0.0000, -0.1351 ],
  [ 0,0, 1.0*a,0.5*a,0.5*a,             0.0986, -0.1819, -0.1819,
                                       -0.1819, -0.2366, -0.2862,
                                       -0.1819, -0.2862, -0.2366 ],
  [ 0,0, 1.0*a,1.0*a,0.0*a,             0.1363,  0.3753,  0.0000,
                                        0.3753,  0.1363,  0.0000,
                                        0.0000,  0.0000,  0.1854 ],
  [ 0,0, 1.5*a,0.5*a,0.0*a,            -0.3003, -0.3239,  0.0000,
                                       -0.3239,  0.1842,  0.0000,
                                        0.0000,  0.0000,  0.2603 ],
  [ 0,0, 1.0*a,1.0*a,1.0*a,            -0.1412,  0.1990,  0.1990,
                                        0.1990, -0.1412,  0.1990,
                                        0.1990,  0.1990, -0.1412 ],
  [ 0,0, 1.5*a,1.0*a,0.5*a,             0.1828,  0.0397, -0.0747,
                                        0.0397, -0.2207, -0.0214,
                                       -0.0747, -0.0214, -0.0173 ],
  [ 0,0, 2.0*a,0.0*a,0.0*a,            -0.0681,  0.0000,  0.0000,
                                        0.0000, -0.0202,  0.0000,
                                        0.0000,  0.0000, -0.0202 ],
]

System.write(cell,atoms,sites,bonds,"cubic")
