#!/bin/bash

si_file=$1
sic_file=$2

cnt_si_si=`sed -n 6p $si_file`
cnt_si_sic=`sed -n 6p $sic_file | awk '{ print $1 }'`
cnt_c_sic=`sed -n 6p $sic_file | awk '{ print $2 }'`

lc_si=`sed -n 2p $si_file`

x_si=`sed -n 3p $si_file | awk '{ print $1 }'`
x_sic=`sed -n 3p $sic_file | awk '{ print $1 }'`

h_si=`sed -n 5p $si_file | awk '{ print $3 }'`
h_sic=`sed -n 5p $sic_file | awk '{ print $3 }'`
h_sic=`echo $h_sic $x_si $x_sic | awk '{ print $1*$2/$3 }'`

((tot_si=cnt_si_si+cnt_si_sic))

h_tot=`echo $h_si + $h_sic | bc`

((offset=8))

# header:
sed -n 1,4p $si_file
echo " 0.00000 0.00000 $h_tot"
echo " $tot_si $cnt_c_sic"
sed -n 7,8p $si_file

# silicon atoms of si lattice (bottom)
((cnt=1))
while [ $cnt -le $cnt_si_si ]; do
	((gl=cnt+offset))
	line=`sed -n ${gl}p $si_file`
	x=`echo $line | awk '{ print $1 }'`
	y=`echo $line | awk '{ print $2 }'`
	z=`echo $line | awk '{ print $3 }'`
	nz=`echo $z $h_tot $h_si | awk '{ print $1*$3/$2 }'`
	echo " $x $y $nz T T T"
	((cnt+=1))
done

# silicon atoms of sic lattice (top / 2nd fcc)
((cnt=1))
while [ $cnt -le $cnt_si_sic ]; do
	((gl=cnt+offset+cnt_c_sic))
	line=`sed -n ${gl}p $sic_file`
	x=`echo $line | awk '{ print $1 }'`
	y=`echo $line | awk '{ print $2 }'`
	z=`echo $line | awk '{ print $3 }'`
	nz=`echo $z $h_tot $h_si $h_sic | awk '{ print $1*$4/$2 + $3/$2 }'`
	echo " $x $y $nz T T T"
	((cnt+=1))
done

# carbon atoms of sic lattice (top / 1st fcc <- odd counts)
((cnt=1))
while [ $cnt -le $cnt_c_sic ]; do
	((gl=cnt+offset))
	line=`sed -n ${gl}p $sic_file`
	x=`echo $line | awk '{ print $1 }'`
	y=`echo $line | awk '{ print $2 }'`
	z=`echo $line | awk '{ print $3 }'`
	nz=`echo $z $h_tot $h_si $h_sic | awk '{ print $1*$4/$2 + $3/$2 }'`
	echo " $x $y $nz T T T"
	((cnt+=1))
done