iterations/neb0_image06_iter49_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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0.2688121899999985 0.3959949799999976 0.2805270300000018
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0.1700009600000030 0.5350565800000027 0.2475554999999972
0.3613730599999982 0.5391270599999984 0.3623133199999984
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0.3760386699999998 0.4210772799999987 0.4874878400000000
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0.6421779799999996 0.7266826099999975 0.4382071699999983
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0.1120099099999976 0.4617247199999994 0.1798306600000004
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0.4752135299999978 0.4293071900000029 0.4099241199999994
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0.4159252199999983 0.3875098899999969 0.5267229600000007
0.3155720600000009 0.4760962599999985 0.5622298999999984
0.3628534799999983 0.4903496499999989 0.6171891999999986
0.4891825400000016 0.5645662200000032 0.3168976600000022
0.4557002299999979 0.5817566300000010 0.4047661299999987
0.6417202700000004 0.6414928100000026 0.5563746400000014
0.6839789900000000 0.6251582200000030 0.4736539199999967
0.6121750900000009 0.6244526999999991 0.3061728699999975
0.5575395099999980 0.5804074699999973 0.5773431599999981
0.5401035699999994 0.5364971500000024 0.4772121000000027
0.5367102200000033 0.6257593600000035 0.4836574899999988
0.5927532299999996 0.8267458199999993 0.4539527199999966
0.5957498499999971 0.7819481900000014 0.5561994199999987
0.5612503400000008 0.7523976599999997 0.4684869299999974
0.6448510900000031 0.7524086800000021 0.2894884299999987
0.6890489299999984 0.8037826899999985 0.5000623000000033
0.6457346500000014 0.4173517999999987 0.3353638299999986
0.6740234700000016 0.4016188900000017 0.4874241999999995
0.5275372400000009 0.2892830899999979 0.3952587699999981
0.5612498500000029 0.3644638499999999 0.2826680300000035
0.5270792499999999 0.4163142900000025 0.5656099200000000
0.5470487099999986 0.2975064700000019 0.5688460399999968
0.6056376000000014 0.4339045899999974 0.6592258499999986
0.6263587600000022 0.3573781199999999 0.6573991400000025
0.6287696899999986 0.2695788500000020 0.2796219299999976
0.6136212500000013 0.2200125900000032 0.3646294400000016
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