#!/usr/bin/perl -w

use System;

my $s3=sqrt(3);
my $a= $s3;
my $c= (5.27/3.31)*$a;
my $m=7.4651033e-26;

$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, $c/2],   23.198,[-2.576,-2.576,-2.559]) ],
  [ 1,0, System::modAxial([-$a/$s3,0,-$c/2],   23.198,[-2.576,-2.576,-2.559]) ],

  [ 0,0, System::modAxial([ 0, $a,0],          11.793,[ 2.374, 2.374, 1.525]) ],
  [ 1,1, System::modAxial([ 0, $a,0],          11.793,[ 2.374, 2.374, 1.525]) ],

  [ 0,1, System::modAxial([-2*$a/$s3,0, $c/2], -9.944,[ 2.284, 2.284, 1.981]) ],
  [ 1,0, System::modAxial([ 2*$a/$s3,0,-$c/2], -9.944,[ 2.284, 2.284, 1.981]) ],

  [ 0,0, System::modAxial([ 0,0,$c],            0.00,[-0.622,-0.622, -0.610]) ],
  [ 1,1, System::modAxial([ 0,0,$c],            0.00,[-0.622,-0.622, -0.610]) ],

  [ 0,1, System::modAxial([ 5*$a/(2*$s3), $a/2, $c/2],  
                                                3.557,[ 0.539, 0.539,-0.648]) ],
  [ 1,0, System::modAxial([-5*$a/(2*$s3),-$a/2,-$c/2],  
                                                3.557,[ 0.539, 0.539,-0.648]) ],

  [ 0,0, System::modAxial([ $a*$s3,0,0],        1.307,[-0.041,-0.041,-0.115]) ],
  [ 1,1, System::modAxial([ $a*$s3,0,0],        1.307,[-0.041,-0.041,-0.115]) ],
  [ 0,0, System::modAxial([-$a*$s3,0,0],        1.307,[-0.041,-0.041,-0.115]) ],
  [ 1,1, System::modAxial([-$a*$s3,0,0],        1.307,[-0.041,-0.041,-0.115]) ],

];

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