c----------------------MnSb---------------------------------- dos data/AATOMBATOMALATT c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma fcc ABOHR , , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 1.33 sra mjw mag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 12 200 0.03 c------------------------------------------------------------ c ntyp 4 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc AATOM 1 1 0.0 2 AANUM 100 BATOM 1 1 0.0 2 BANUM 100 Vc1 1 1 0.0 0 0 100 Vc2 1 1 0.0 0 0 100 c------------------------------------------------------------ c natm 4 c------------------------------------------------------------ c atmicx atmtyp 0 0 0 AATOM 0.25 0.25 0.25 BATOM 0.5 0.5 0.5 Vc1 0.75 0.75 0.75 Vc2 c------------------------------------------------------------