iterations/neb0_image04_iter55_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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0.4605531899999988 0.5801172999999977 0.4043538299999980
0.6469470199999989 0.6407220800000033 0.5658419199999969
0.6868517899999986 0.6230604200000016 0.4812261100000015
0.6182493299999976 0.6237382600000032 0.3146599299999977
0.5583310000000026 0.5756523499999986 0.5796988600000006
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0.5402738700000000 0.6276152599999989 0.4889073699999997
0.5983984000000007 0.8261462099999974 0.4628021799999971
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0.6946779499999991 0.8027589599999985 0.5093370199999967
0.6516725099999974 0.4169645899999992 0.3454936799999970
0.6795637299999981 0.4008375800000010 0.4974694900000003
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0.5667276699999988 0.3638848000000010 0.2912286600000016
0.5322974999999985 0.4141947500000001 0.5741013800000019
0.5534642800000000 0.2959529999999972 0.5776388000000026
0.6115073599999974 0.4339074600000004 0.6674342399999986
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0.6185392900000011 0.2193537200000009 0.3728181600000013
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