SILICON BULK - BASIS SET 6-21 MODIFIED
CRYSTAL
0 0 0
227
5.42
1
14  .125  .125   .125
END
14 4
2 0 6  2.  1.
2 1 6  8.  1.
2 1 2  4.  1.
0 1 1  0.  1.
0.1233392     1.       1.
99 0
END
END
8 0 8
TOLDEE
6
END