c---------------------BaO---------------------------------- dos data/BaO c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma fcc 10.4621, , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.0 sra mjw nmag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 8 200 0.03 c------------------------------------------------------------ c ntyp 2 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Ba 1 1 0.0 2 56 100 O 1 1 0.0 2 8 100 c------------------------------------------------------------ c natm 2 c------------------------------------------------------------ c atmicx atmtyp 0.0 0.0 0.0 Ba 0.5 0.5 0.5 O c------------------------------------------------------------