iterations/neb0_image05_iter46_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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0.6861702100000002 0.6244768299999990 0.4766169600000012
0.6148347999999970 0.6242273499999982 0.3102278400000031
0.5591692400000028 0.5798876599999971 0.5830568399999976
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0.6485100700000004 0.4176417400000005 0.3401252999999969
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0.6076945800000004 0.4332121300000011 0.6629310399999966
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