./iterations/neb0_image02_iter19_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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0.5398211899999978 0.6635431300000008 0.3764611000000002
0.6308515699999973 0.5201932599999992 0.5043909799999966
0.5726274599999996 0.5112221400000010 0.5219871500000011
0.5996505600000006 0.5872930299999979 0.5512032199999979
0.6380733499999991 0.7994988499999991 0.5212036100000006
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0.5444807399999974 0.2409026400000016 0.1923674900000023
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