#!/bin/bash

file=`ls $1/atomic_conf_* | tail -1`
atom_cnt=`grep '# \[P\]' $file | awk '{ print $3 }'`
e0=`awk 'NR==2' $1/energy | awk '{ print $4 }'`
e1=`tail -n 1 $1/energy | awk '{ print $4 }'`

echo "$e0 $e1 $atom_cnt" | \
	awk '{ print ($2-$1)*$3" eV" }'