./iterations/neb0_image08_iter36_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.2450067099999984 0.4477707899999999 0.3688358799999989
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0.6567473500000034 0.5953815900000023 0.3676215500000026
0.6200770199999965 0.6120774999999981 0.2780275399999965
0.5388026600000018 0.6446378799999977 0.3798627800000034
0.6193387000000001 0.4893574800000025 0.5092841900000025
0.5609854100000007 0.4821618200000017 0.5222094599999991
0.5881745000000009 0.5570410300000006 0.5539969900000017
0.6261845300000033 0.7696241100000023 0.5239128799999975
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0.6917472900000021 0.4073847200000031 0.2965820399999970
0.6812883099999993 0.3696021100000024 0.1988636700000015
0.4928937500000004 0.2694268899999983 0.1879288700000004
0.5326303200000027 0.2108638300000010 0.1949425800000029
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