KC2P opt. all (VASP)
1.00000000000000
14.2027433950507955 -0.0230080991318290 0.1044348883207181
-0.0214398142563002 14.5346064996991533 -0.0356371593880035
0.0792969644125480 -0.0282157386991695 12.5629204098590694
Si C O
67 22 127
Direct
0.0242952106678573 0.0025670014775401 0.9470279792330280
0.0626973838304870 0.0516180139132893 0.2055785639721610
0.1872341001188713 0.1895611682880032 0.3473049566692845
0.9729696555247083 0.1646480206772128 0.6847535254844302
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0.9678887886505940 0.9448396599623767 0.7162330074406942
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0.1296456069364678 0.4092101818079091 0.0185233876966318
0.1863654598719813 0.5844441810960479 0.1229467903440254
0.0169610676315183 0.3457466806503184 0.1915700495753011
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0.1951227286331887 0.8917714745305085 0.0692637711843017
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