iterations/neb0_image01_iter22_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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0.2544744699999981 0.3990055499999983 0.2568316300000006
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0.1558156099999977 0.5376665000000003 0.2246673900000005
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0.4370982800000007 0.4769325400000000 0.3407120000000035
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0.4017430500000003 0.3900298300000031 0.5036038599999983
0.3015110699999966 0.4785553700000023 0.5387729999999991
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0.4819340600000004 0.5715895299999971 0.3008745599999969
0.4649347599999984 0.5788295600000026 0.4068289599999986
0.6535695199999978 0.6381948499999979 0.5801011000000003
0.6917522399999996 0.6179085099999995 0.4945508500000031
0.6282218500000027 0.6234379099999998 0.3276169399999986
0.5612060699999972 0.5689959899999977 0.5803604800000031
0.5389945499999982 0.5419810100000007 0.4764188199999992
0.5466321500000006 0.6288797400000021 0.4973328900000027
0.6069843900000009 0.8241847199999981 0.4774935000000013
0.6098028199999987 0.7792728100000019 0.5798245900000012
0.5756724499999990 0.7495978099999974 0.4917115499999980
0.6590819600000017 0.7499363399999979 0.3137121099999973
0.7032825400000036 0.7997203500000012 0.5224812700000001
0.6600468500000005 0.4151213999999968 0.3587809200000009
0.6877025499999974 0.3997791500000005 0.5103318199999975
0.5418258799999975 0.2868045499999994 0.4179646300000002
0.5754470299999994 0.3616395999999966 0.3055144100000007
0.5412835400000020 0.4140156599999969 0.5863104700000008
0.5613192799999993 0.2952165000000022 0.5917844000000017
0.6202746599999998 0.4320284100000009 0.6819558899999976
0.6407206299999970 0.3543602900000025 0.6801760099999967
0.6432351600000032 0.2671543900000017 0.3035121200000006
0.6281691800000004 0.2182902400000017 0.3889979599999975
0.00000000E+00 0.00000000E+00 0.00000000E+00
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