c-----------------------L12Ni3Mn----------------------------- go data/L12Ni3Mn_ABOHR c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma sc ABOHR , , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.0 sra gga91 mag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 8 200 0.023 c------------------------------------------------------------ c ntyp 2 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Ni 1 1 0.0 2 28 100 Mn 1 1 0.0 2 25 100 c------------------------------------------------------------ c natm 4 c------------------------------------------------------------ c atmicx atmtyp 0 0 0 Mn 0 1/2 1/2 Ni 1/2 0 1/2 Ni 1/2 1/2 0 Ni c------------------------------------------------------------