#!/usr/bin/env perl

$seed = shift @ARGV;

my $lammpsinp = "$seed.conf";
my $lammpsout = "$seed.lammps";
my $lammpstraj = "$seed.lammpstrj";

{
open (my $fh, "<", $lammpsinp) or die $!;
@li = <$fh>;
}
chomp @li;
my @spec = split ' ', $li[0];

{
open (my $fh, "<", $lammpsout) or die $!;
while (my $line = <$fh>) {
  if ($line =~ /Lattice parameters/){
    chomp $line;
    @box = split ' ', $line;
  }
}
}
shift @box;
shift @box;

{
open (my $fh, "<", $lammpstraj) or die $!;
@lo = <$fh>;
}
chomp @lo;
$nat = $lo[3];

printf "%%BLOCK LATTICE_ABC\n";
printf "%10.6f %10.6f %10.6f\n",$box[0],$box[1],$box[2];
printf "%10.6f %10.6f %10.6f\n",$box[3],$box[4],$box[5];
printf "%%ENDBLOCK LATTICE_ABC\n\n";
printf "%%BLOCK POSITIONS_FRAC\n";
for (my $i=-$nat; $i <= -1; $i++) {
  my @data = split / /, $lo[$i];
  printf "%4s ", $spec[$data[1]-1];
  printf "%14.8f ", $_ for @data[2..4];
  printf "\n";
}
printf "%%ENDBLOCK POSITIONS_FRAC\n";