#!/usr/bin/perl -w

use System;

my $a=2.0;
my $m1=4.480389e-26;  # Al atomic mass in kg
my $m2=9.7462664e-26; # Ni atomic mass in kg

$cell=[
  $a,0,0,
  0,$a,0,
  0,0,$a,
];

my $atoms=[
  [ "Ni", $m2 ],
  [ "Al", $m1 ],
];

my $sites=[
  [ 0,0,0,             0 ],
  [ 1,1,1,             1 ],
];

my $bonds=[
  [ 0,1, 1,1,1,                 10.4400, 10.6800, 10.6800,
                                10.6800, 10.4400, 10.6800,
                                10.6800, 10.6800, 10.4400],
  [ 1,0, -1,-1,-1,              10.4400, 10.6800, 10.6800,
                                10.6800, 10.4400, 10.6800,
                                10.6800, 10.6800, 10.4400],

  [ 0,0, 2,0,0,                  0.7800,  0.0000,  0.0000,
                                 0.0000, -0.2800,  0.0000,
                                 0.0000,  0.0000, -0.2800],

  [ 1,1, 2,0,0,                 18.8200,  0.0000,  0.0000,
                                 0.0000, -0.2800,  0.0000,
                                 0.0000,  0.0000, -0.2800],

  [ 0,0, 2,2,0,                  2.1600,  2.1400,  0.0000,
                                 2.1400,  2.1600,  0.0000,
                                 0.0000,  0.0000, -2.9100],

  [ 1,1, 2,2,0,                  1.1000,  1.1800,  0.0000,
                                 1.1800,  1.1000,  0.0000,
                                 0.0000,  0.0000,  0.5100],

  [ 0,1, 3,1,1,                 -0.0700,  0.8500,  0.8500,
                                 0.8500,  0.5900, -0.6400,
                                 0.8500, -0.6400,  0.5900],
  [ 1,0, -3,-1,-1,              -0.0700,  0.8500,  0.8500,
                                 0.8500,  0.5900, -0.6400,
                                 0.8500, -0.6400,  0.5900],

  [ 0,0, 2,2,2,                  0.0000,  0.0000,  0.0000,
                                 0.0000,  0.0000,  0.0000,
                                 0.0000,  0.0000,  0.0000],

  [ 1,1, 2,2,2,                  0.0000,  0.0000,  0.0000,
                                 0.0000,  0.0000,  0.0000,
                                 0.0000,  0.0000,  0.0000],

];

System::write($cell,$atoms,$sites,$bonds,"cubic");
