iterations/neb0_image03_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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0.6488991399999975 0.6395243699999966 0.5717694200000025
0.6868910199999974 0.6192707900000016 0.4862321000000023
0.6228159799999986 0.6243150299999982 0.3194575099999994
0.5567972099999992 0.5705099099999984 0.5734687100000002
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0.5563141399999978 0.2960373700000005 0.5832396799999984
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