iterations/neb0_image01_iter5_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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0.2544766099999975 0.3990262399999978 0.2568122400000021
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0.2564283199999977 0.4921957899999967 0.2638324999999995
0.1558105599999990 0.5376800800000012 0.2246638499999989
0.3479036199999967 0.5414199800000006 0.3398668600000008
0.4370988800000006 0.4769323200000031 0.3406976799999981
0.3622715099999994 0.4242748200000008 0.4643126899999999
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0.6553370099999967 0.7232832299999998 0.4621579900000015
0.6485081499999978 0.4201914400000035 0.4554948099999976
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0.2493252399999975 0.3760563900000022 0.3226727899999986
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0.2277075000000011 0.3819149999999993 0.2121235299999995
0.0977570499999985 0.4641412599999981 0.1568700300000003
0.1087435399999990 0.4402075699999983 0.2691036800000006
0.1466883499999980 0.4181634400000007 0.1832981200000035
0.1618337700000012 0.5865949000000015 0.0871812899999966
0.0920918099999994 0.5864779500000026 0.2776460099999980
0.3642899999999969 0.5613649800000005 0.2500106099999968
0.3467687099999992 0.6002371599999989 0.4009482700000007
0.4610916700000018 0.4245272400000033 0.3932783999999998
0.4391915499999968 0.4596234999999993 0.2439027899999999
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0.4017279600000023 0.3900482999999966 0.5036304699999974
0.3015197699999987 0.4785832299999981 0.5388013299999983
0.3491489500000000 0.4924827899999968 0.5937385499999976
0.4819130300000012 0.5715944600000000 0.3008749700000024
0.4649014299999976 0.5788219200000029 0.4068263699999974
0.6535511499999984 0.6381775600000026 0.5801128100000028
0.6917414300000004 0.6178417200000013 0.4945754499999993
0.6282251800000012 0.6234474700000021 0.3276321900000028
0.5612527799999967 0.5689747799999978 0.5802810799999989
0.5390070600000030 0.5419966099999982 0.4763668699999997
0.5466611100000023 0.6288975900000011 0.4973155100000000
0.6069910399999969 0.8241607499999972 0.4775029199999992
0.6098021399999993 0.7792520400000029 0.5798282000000015
0.5756744999999981 0.7495623699999996 0.4916851899999983
0.6590551099999971 0.7499236100000033 0.3137437600000013
0.7032905200000030 0.7996799599999989 0.5224501399999966
0.6600487299999998 0.4151122500000000 0.3587436600000018
0.6876904000000010 0.3997865700000034 0.5102866000000006
0.5418458199999989 0.2867695799999979 0.4179634400000012
0.5754520300000010 0.3616370499999988 0.3055036000000015
0.5413094999999970 0.4140732099999980 0.5862886900000035
0.5612942799999985 0.2952583399999966 0.5918046099999970
0.6202894400000005 0.4320317999999972 0.6819995600000013
0.6407286499999998 0.3543312500000013 0.6801536999999982
0.6432747799999987 0.2671457799999999 0.3035518300000035
0.6282025800000000 0.2183140499999965 0.3890524700000029
0.00000000E+00 0.00000000E+00 0.00000000E+00
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