iterations/neb0_image01_iter67_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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0.3012656399999969 0.4777057599999992 0.5379754800000001
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0.6539450900000006 0.6389787199999972 0.5802796299999997
0.6918076899999974 0.6187558800000019 0.4941258400000024
0.6283755400000004 0.6231025399999979 0.3279516500000028
0.5609066600000006 0.5693480699999967 0.5811502600000011
0.5391384500000029 0.5415321199999994 0.4772629200000011
0.5464027399999978 0.6285506700000028 0.4972928400000001
0.6067719099999991 0.8247564799999978 0.4771228399999998
0.6100523300000020 0.7795899199999994 0.5791965399999981
0.5754672600000035 0.7500773100000018 0.4917247200000006
0.6597166900000033 0.7499456299999991 0.3133120800000029
0.7030192900000003 0.8004247599999985 0.5233396900000002
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0.5753990899999977 0.3623412399999992 0.3055348899999970
0.5407799899999972 0.4126307699999998 0.5867214800000013
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0.6426302500000034 0.2672505700000016 0.3024408599999973
0.6274457199999972 0.2180254199999965 0.3877933400000018
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