古いバージョンのBBSは閲覧のみ可能です。
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73

Re: Input data of SiF4(in English)

Posted on : March 14, 2003 (Fri) 15:13:00

by Kobayashi Kazuaki

I think following data is correct for input.

0.00000a 0.00000b 0.00000c Si
0.33000a 0.33000b 0.33000c F
0.33000a -0.33000b -0.33000c F
-0.33000a 0.33000b -0.33000c F
-0.33000a -0.33000b 0.33000c F