-echo " total energy: $energy eV"
-echo "$energy $total" | \
- awk '{ print " cohesive energy: "$1/$2 " eV" }'
+echo $energy $total | \
+ awk '{ print " total e: " $1 " eV, per atom: " $1/$2 " eV"}'
+echo "$energy $sicnt $ccnt $free_si $free_c" | \
+ awk '{ print " cohesive energy (Si and C): " ($1-$2*$4-$3*$5)/($2+$3) " eV, " $1-$2*$4-$3*$5 " eV" }'
+echo "$energy $sicnt $free_c" | \
+ awk '{ print " cohesive energy (C only): " ($1-$2*$3)/$2 " eV, " $1-$2*$3 " eV" }'
+#echo "$energy $total $free_si_250" | \
+# awk '{ print " cohesive energy (Si only 250): " ($1-$2*$3)/$2 " eV" }'
+#echo "$energy $sicnt $free_c_650" | \
+# awk '{ print " cohesive energy (C only 650): " ($1-$2*$3)/($2) " eV" }'
+#echo "$energy $sicnt $ccnt $free_si_650 $free_c_650" | \
+# awk '{ print " cohesive energy (Si and C 650): " ($1-$2*$4-$3*$5)/($2+$3) " eV" }'
+#echo "$energy $total" | \
+# awk '{ print " Si:C -> cohesive energy: "$1/$2 " eV" }'