c------------------------------------------------------------ dos data/bccPt_ABOHR c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma bcc ABOHR, , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 1.6 sra mjw nmag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 8 200 0.01 c------------------------------------------------------------ c ntyp 1 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Pt 1 1 0.0 2 78 100 c------------------------------------------------------------ c natm 1 c------------------------------------------------------------ c atmicx atmtyp 0 0 0 Pt c------------------------------------------------------------