iterations/neb0_image07_iter68_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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0.6434515700000034 0.6450785199999984 0.5511453800000012
0.6822936800000008 0.6290595500000009 0.4674549100000007
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0.5615116700000016 0.5861690699999969 0.5766897199999974
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0.5897483199999982 0.8255830599999996 0.4471018099999995
0.5919997000000023 0.7821066599999966 0.5497570899999999
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0.6089576099999974 0.2209226399999977 0.3575959699999984
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