iterations/neb0_image01_iter14_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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0.4391904399999973 0.4596166999999980 0.2439238099999983
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0.4017357500000003 0.3900366700000006 0.5036194899999984
0.3015181100000035 0.4785770800000009 0.5387992699999984
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0.4649216700000025 0.5788272899999996 0.4067996100000002
0.6535621199999966 0.6381823899999972 0.5801002500000010
0.6917478599999995 0.6178764900000004 0.4945695899999976
0.6282220699999996 0.6234435100000013 0.3276207999999983
0.5612277700000021 0.5689856500000019 0.5803259500000024
0.5390017100000009 0.5419944599999980 0.4763918299999972
0.5466470699999988 0.6288840400000026 0.4973254900000015
0.6069868499999984 0.8241761600000004 0.4774919999999980
0.6097998899999979 0.7792619900000020 0.5798393600000011
0.5756781500000017 0.7495812299999969 0.4916979400000017
0.6590671599999993 0.7499314399999975 0.3137247299999970
0.7032891699999979 0.7996968300000020 0.5224587399999976
0.6600473199999968 0.4151144000000002 0.3587525700000000
0.6877004500000012 0.3997806499999967 0.5103140599999989
0.5418384600000010 0.2867872200000008 0.4179591899999977
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0.5412940100000014 0.4140528100000012 0.5863006599999991
0.5613040799999993 0.2952304200000029 0.5917981799999978
0.6202848200000020 0.4320352100000022 0.6819813999999980
0.6407282099999989 0.3543452700000032 0.6801681800000026
0.6432554900000014 0.2671510600000033 0.3035336800000010
0.6281868900000021 0.2183001300000029 0.3890329899999969
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