#!/usr/bin/python

import System
from math import sqrt

# a sca;es the lattice vectors
a=1.0
m=2.3266804e-25

cell=[
  a,a,0,
  a,0,a,
  0,-a,-a
]

atoms=[
  [ "Ce", m ],
]

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

bonds=[
  [ 0,0, 1*a,1*a,0*a,             4.3726,  4.5798,  0.0000,
                                  4.5798,  4.3726,  0.0000,
                                  0.0000,  0.0000, -0.2264 ],

  [ 0,0, 2*a,0*a,0*a,            -2.3562,  0.0000,  0.0000,
                                  0.0000,  0.0773,  0.0000,
                                  0.0000,  0.0000,  0.0773 ],

  [ 0,0, 2*a,1*a,1*a,             0.2058, -0.0496, -0.0496,
                                 -0.0496,  0.3169, -0.0547,
                                 -0.0496, -0.0547,  0.3169 ],

  [ 0,0, 2*a,2*a,0*a,             0.1231,  0.1505,  0.0000,
                                  0.1505,  0.1231,  0.0000,
                                  0.0000,  0.0000,  0.0114 ],

  [ 0,0, 3*a,1*a,0*a,            -0.0525,  0.0193,  0.0000,
                                  0.0193, -0.0992,  0.0000,
                                  0.0000,  0.0000, -0.1044 ],

  [ 0,0, 2*a,2*a,2*a,            -0.3316, -0.2194, -0.2194,
                                 -0.2194, -0.3316, -0.2194,
                                 -0.2194, -0.2194, -0.3316 ],

  [ 0,0, 3*a,2*a,1*a,             0.1057, -0.0068,  0.0763,
                                 -0.0068, -0.1138,  0.0050,
                                  0.0763,  0.0050,  0.0263 ],

  [ 0,0, 4*a,0*a,0*a,            -0.0009,  0.0000,  0.0000,
                                  0.0000,  0.2219,  0.0000,
                                  0.0000,  0.0000,  0.2219 ],
]

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