iterations/neb0_image03_iter28_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
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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0.6243399100000033 0.3375719799999999 0.2901219700000013
0.6113317000000009 0.2697559200000015 0.4772229100000018
0.5059917299999981 0.4074460100000010 0.4186612299999979
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0.5028808699999985 0.1795722399999988 0.2635787899999968
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0.6726420999999974 0.4570716200000007 0.5410321999999965
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0.6057784600000033 0.5628941900000015 0.2686150400000002
0.6538942700000021 0.6048509299999978 0.2745096000000018
0.7157204399999983 0.5772046499999988 0.6519286099999988
0.7113001999999966 0.6534267400000004 0.6070525200000034
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