structure opt. (SiCONB) B(N)3 Si25BC7N8O
1.00000000000000
10.1600000000000001 0.0000000000000000 0.0000000000000000
0.0000000000000000 10.1600000000000001 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.1600000000000001
Si O C N B H
25 31 7 8 1 29
Direct
0.4765358837328362 0.6685795443570370 0.8896190576732091
0.7777713937521387 0.5821221546904994 0.7077540228695538
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