#!/usr/bin/perl -w

use System;

my $s3=sqrt(3);
my $a= $s3;
my $c= (5.14/3.23)*$a;
my $m=1.5148099e-25;

$cell=[
  $a*sqrt(3)/2,-$a/2,0,
  0,$a,0,
  0,0,$c,
];

my $atoms=[
  [ "A", $m ],
  [ "B", $m ],
];

my $sites=[
  [ 0,0,0,             0 ],
  [ $a/$s3,0,$c/2,     1 ],
];

my $bonds=[
  [ 0,1, System::modAxial([ $a/$s3,0, $c/2],   39.74,[-3.77,-3.77,-12.88]) ],
  [ 1,0, System::modAxial([-$a/$s3,0,-$c/2],   39.74,[-3.77,-3.77,-12.88]) ],

  [ 0,0, System::modAxial([ 0, $a,0],          22.80,[-0.70,-0.70,  3.28]) ],
  [ 1,1, System::modAxial([ 0, $a,0],          22.80,[-0.70,-0.70,  3.28]) ],

  [ 0,1, System::modAxial([-2*$a/$s3,0, $c/2], -4.60,[-0.39,-0.39, -1.45]) ],
  [ 1,0, System::modAxial([ 2*$a/$s3,0,-$c/2], -4.60,[-0.39,-0.39, -1.45]) ],

  [ 0,0, System::modAxial([ 0,0,$c],            4.40,[ 0.43, 0.43,  4.00]) ],
  [ 1,1, System::modAxial([ 0,0,$c],            4.40,[ 0.43, 0.43,  4.00]) ],

  [ 0,1, System::modAxial([ 5*$a/(2*$s3), $a/2, $c/2],  
                                                1.95,[ 0.28, 0.28, -0.26]) ],
  [ 1,0, System::modAxial([-5*$a/(2*$s3),-$a/2,-$c/2],  
                                                1.95,[ 0.28, 0.28, -0.26]) ],

  [ 0,0, System::modAxial([ $a*$s3,0,0],        1.48,[ 1.71, 1.71,  0.10]) ],
  [ 1,1, System::modAxial([ $a*$s3,0,0],        1.48,[ 1.71, 1.71,  0.10]) ],
  [ 0,0, System::modAxial([-$a*$s3,0,0],        1.48,[ 1.71, 1.71,  0.10]) ],
  [ 1,1, System::modAxial([-$a*$s3,0,0],        1.48,[ 1.71, 1.71,  0.10]) ],

];

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