iterations/neb0_image01_iter21_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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0.4649410500000002 0.5788343500000011 0.4068357499999991
0.6535726899999972 0.6381966000000006 0.5800975900000012
0.6917544699999993 0.6179185700000005 0.4945480499999988
0.6282218200000003 0.6234397300000012 0.3276117500000026
0.5611980999999986 0.5689990799999975 0.5803765200000015
0.5389918699999967 0.5419784600000028 0.4764258900000016
0.5466267899999977 0.6288781900000018 0.4973358499999989
0.6069833600000010 0.8241876399999981 0.4774918600000007
0.6098022600000021 0.7792760199999975 0.5798251699999994
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0.6590859100000017 0.7499391799999984 0.3137058599999989
0.7032818899999995 0.7997302099999999 0.5224900400000010
0.6600460399999974 0.4151221300000003 0.3587862500000014
0.6877047600000026 0.3997776000000002 0.5103392500000012
0.5418209500000017 0.2868079799999990 0.4179657999999975
0.5754462900000021 0.3616378099999977 0.3055195299999980
0.5412796099999966 0.4140077099999999 0.5863138599999971
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0.6202722700000010 0.4320226399999996 0.6819478299999986
0.6407197600000032 0.3543653199999994 0.6801798799999972
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0.6281630900000010 0.2182905800000015 0.3889857500000033
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