Convert POSCAR created by ASE to raw file as DeePMD-kit training set (**Bash**)
===========
Only for Cu system without element line, test before use!

::

	rm *.raw

	num=`ls |wc|awk '{print $1-1}'`

	for i in `seq 1 $num`
	do
		awk '{
			  if(NR==1)   print $5 >>"energy.raw";
			  else if(NR>=5&&NR<=7)  printf("%9.6f %9.6f %9.6f ",$1,$2,$3)>>"box.raw";
			  else if(NR>=10) {
					printf("%9.6f %9.6f %9.6f ",$2,$3,$4) >>"coord.raw";
					printf("%9.6f %9.6f %9.6f ",$5,$6,$7) >>"force.raw";
			  }}' $i.xsf 
		echo >>box.raw
		echo >>coord.raw
		echo >>force.raw
	done

	awk '{if(NR>=10) {if($1=="Cu") printf("0 "); else printf("1 ")}}' 1.xsf>>type.raw
	echo >>type.raw