iterations/neb0_image07_iter8_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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0.6169050399999989 0.3570169699999965 0.2890238399999987
0.6038865399999978 0.2892188200000021 0.4761726300000007
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0.5164689699999983 0.4152366799999996 0.5291187500000021
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0.4954754999999977 0.2763267099999993 0.2037033599999987
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