iterations/neb0_image08_iter74_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
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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0.4617199099999993 0.5626643900000019 0.3744852900000026
0.6399157399999993 0.6454618599999975 0.5483211999999966
0.6777050500000001 0.6257121200000029 0.4583250399999983
0.6047659500000009 0.6259313300000002 0.3017884799999990
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0.5460683399999979 0.5412816999999990 0.4898221699999965
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0.5220282499999982 0.4169761899999997 0.5562778099999974
0.5414077800000001 0.2991476400000010 0.5574119099999990
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