iterations/neb0_image04_iter63_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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0.2628685199999978 0.3966737699999996 0.2715484200000020
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0.1644104499999983 0.5360981500000008 0.2383353999999969
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0.1063533399999983 0.4630576599999969 0.1708208000000013
0.1171186300000002 0.4392994999999971 0.2832037599999992
0.1548131899999987 0.4160239300000015 0.1975179000000011
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0.3550905299999982 0.5985841299999990 0.4157202999999967
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0.4886075699999992 0.5669451600000031 0.3108492699999985
0.4616675999999984 0.5805016300000005 0.4058956499999979
0.6472834400000025 0.6409626100000025 0.5660820900000019
0.6868667800000026 0.6229973200000032 0.4814997599999984
0.6182850100000010 0.6238471300000015 0.3149632299999965
0.5583741399999980 0.5752680900000016 0.5782420199999976
0.5377714500000010 0.5385504300000008 0.4778531400000006
0.5400333099999983 0.6272848199999999 0.4887961399999980
0.5984997500000020 0.8261086999999989 0.4628594200000009
0.6015867200000002 0.7813062800000026 0.5648225199999999
0.5670579900000021 0.7517878399999987 0.4774192599999978
0.6507499599999989 0.7514683500000032 0.2986508600000022
0.6947483300000030 0.8025887399999974 0.5091979299999991
0.6517903000000018 0.4168148600000023 0.3455263099999968
0.6795735099999973 0.4005725399999989 0.4974104300000022
0.5332741200000015 0.2891940700000006 0.4039608499999972
0.5668409999999966 0.3639568299999993 0.2913717899999995
0.5324314300000026 0.4142001299999976 0.5739070899999987
0.5534936999999971 0.2959796999999966 0.5777734500000022
0.6115706499999973 0.4338813500000001 0.6676681000000002
0.6323349700000023 0.3563535199999990 0.6668203799999972
0.6340917699999977 0.2686504600000035 0.2883185299999980
0.6186861300000004 0.2192994700000028 0.3731773599999997
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