#!/usr/bin/perl -w

use System;

my $a=1.0;
my $m=9.7462664e-26;

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

my $atoms=[
  [ "Ni", $m ],
];

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

my $bonds=[
  [ 0,0, 1,1,0,                  17.319, 19.100,  0.000,
                                 19.100, 17.319,  0.000,
                                  0.000,  0.000, -0.436 ],
  [ 0,0, 2,0,0,                   1.044,  0.000,  0.000,
                                  0.000, -0.780,  0.000,
                                  0.000,  0.000, -0.780 ],
  [ 0,0, 2,1,1,                   0.842,  0.424,  0.424,
                                  0.424,  0.263, -0.109,
                                  0.424, -0.109,  0.263 ],
  [ 0,0, 2,2,0,                   0.402,  0.660,  0.000,
                                  0.660,  0.402,  0.000,
                                  0.000,  0.000, -0.185 ],
  [ 0,0, 3,1,0,                  -0.085, -0.035,  0.000,
                                 -0.035,  0.007,  0.000,
                                  0.000,  0.000,  0.018 ],
];

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