iterations/neb0_image01_iter17_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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0.6181886199999980 0.5728180699999967 0.4591316500000033
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0.1087299499999972 0.4402429699999999 0.2691168899999994
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0.3015122500000018 0.4785644299999987 0.5387884399999976
0.3491033999999971 0.4924925199999990 0.5936969099999985
0.4819265900000005 0.5715930699999987 0.3009274300000016
0.4649502899999973 0.5788403299999985 0.4067950600000003
0.6535764799999981 0.6381919800000020 0.5800939200000030
0.6917533900000024 0.6179281799999998 0.4945586500000019
0.6282210199999980 0.6234461100000033 0.3276021000000000
0.5611928200000023 0.5690025800000029 0.5803769400000007
0.5389932000000002 0.5419879900000026 0.4764277700000008
0.5466265700000008 0.6288678900000022 0.4973383600000005
0.6069816099999983 0.8241886200000010 0.4774836300000018
0.6097981899999994 0.7792757499999965 0.5798475900000000
0.5756770200000005 0.7496049900000017 0.4917153800000023
0.6590857500000027 0.7499437099999966 0.3136980900000026
0.7032854699999973 0.7997219499999986 0.5224741199999983
0.6600458400000022 0.4151192200000011 0.3587703999999974
0.6877128100000007 0.3997737799999967 0.5103512900000027
0.5418287999999976 0.2868141800000004 0.4179540100000025
0.5754461900000010 0.3616353700000019 0.3055164800000014
0.5412727699999991 0.4140194100000016 0.5863175300000023
0.5613194499999992 0.2951934000000023 0.5917870399999998
0.6202755300000007 0.4320305800000028 0.6819511400000025
0.6407280199999974 0.3543623799999978 0.6801882199999980
0.6432310799999996 0.2671598900000021 0.3034995900000013
0.6281611900000001 0.2182905900000023 0.3889905300000009
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