c--------------------graphite--------------------------------- go data/graphite c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma hex 4.656, 2.7236, , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.4 sra mjw nmag init c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 4 200 0.023 c------------------------------------------------------------ c ntyp 12 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc C1 1 1 0.0 2 6 100 C2 1 1 0.0 2 6 100 C3 1 1 0.0 2 6 100 C4 1 1 0.0 2 6 100 Vc1 1 1 0.0 2 0 100 Vc2 1 1 0.0 2 0 100 Vc3 1 1 0.0 2 0 100 Vc4 1 1 0.0 2 0 100 Vc5 1 1 0.0 2 0 100 Vc6 1 1 0.0 2 0 100 Vc7 1 1 0.0 2 0 100 Vc8 1 1 0.0 2 0 100 c------------------------------------------------------------ c natm 12 c------------------------------------------------------------ c atmicx atmtyp 0a 0b 0c C1 1/3a 2/3b 0c C2 2/3a 1/3b 0c Vc1 0a 0b 1/4c Vc2 1/3a 2/3b 1/4c Vc3 2/3a 1/3b 1/4c Vc4 0a 0b 1/2c C3 1/3a 2/3b 1/2c Vc5 2/3a 1/3b 1/2c C4 0a 0b 3/4c Vc6 1/3a 2/3b 3/4c Vc7 2/3a 1/3b 3/4c Vc8 c------------------------------------------------------------ # c--------------------graphite--------------------------------- # dos data/graphite # c------------------------------------------------------------ # c brvtyp a c/a b/a alpha beta gamma # hex 4.656, 2.7236, , , , , # c------------------------------------------------------------ # c edelt ewidth reltyp sdftyp magtyp record # 0.001 2.4 sra mjw nmag 2nd # c------------------------------------------------------------ # c outtyp bzqlty maxitr pmix # update 15 200 0.023 # c------------------------------------------------------------ # c ntyp # 12 # c------------------------------------------------------------ # c type ncmp rmt field mxl anclr conc # C1 1 1 0.0 2 6 100 # C2 1 1 0.0 2 6 100 # C3 1 1 0.0 2 6 100 # C4 1 1 0.0 2 6 100 # Vc1 1 1 0.0 2 0 100 # Vc2 1 1 0.0 2 0 100 # Vc3 1 1 0.0 2 0 100 # Vc4 1 1 0.0 2 0 100 # Vc5 1 1 0.0 2 0 100 # Vc6 1 1 0.0 2 0 100 # Vc7 1 1 0.0 2 0 100 # Vc8 1 1 0.0 2 0 100 # c------------------------------------------------------------ # c natm # 12 # c------------------------------------------------------------ # c atmicx atmtyp # 0a 0b 0c C1 # 1/3a 2/3b 0c C2 # 2/3a 1/3b 0c Vc1 # # 0a 0b 1/4c Vc2 # 1/3a 2/3b 1/4c Vc3 # 2/3a 1/3b 1/4c Vc4 # # 0a 0b 1/2c C3 # 1/3a 2/3b 1/2c Vc5 # 2/3a 1/3b 1/2c C4 # # 0a 0b 3/4c Vc6 # 1/3a 2/3b 3/4c Vc7 # 2/3a 1/3b 3/4c Vc8 # c------------------------------------------------------------