Convert xsf file to xyz file as GAP training set (**Bash**)
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::

    awk '{if(NR==9) print $1 }' $1  >$2
    awk '{
        if(NR==1)  en=$5;
        if(NR==2)  printf("Lattice=\"");
        else if(NR>=5&&NR<=7) printf("%s ",$0);
        else if(NR==9) 
			printf(" \" Properties=species:S:1:pos:R:3:forces:R:3 energy=%s pbc=\"T T T\"\n",en);
        else if(NR>9) print $0;
        }'  $1  >>$2