iterations/neb0_image01_iter50_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
0.2026228699999990 0.5292512400000007 0.3052368299999983
0.2543562399999999 0.3986253500000032 0.2570065499999998
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0.1558781299999978 0.5375934999999998 0.2246019299999986
0.3480207899999996 0.5413897600000013 0.3398271900000012
0.4372928599999995 0.4768159099999991 0.3409368499999985
0.3623657099999988 0.4242666299999982 0.4642839899999984
0.6182332899999992 0.5729430399999984 0.4596292900000023
0.6553275500000026 0.7235424100000003 0.4618406100000030
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0.0977156399999970 0.4644959299999982 0.1568883999999997
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0.0921596499999993 0.5859337899999986 0.2779650599999997
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0.4018805700000030 0.3898872899999972 0.5034031699999986
0.3013667600000005 0.4780882000000020 0.5382790999999969
0.3488146299999997 0.4926174399999965 0.5934705700000009
0.4821566800000028 0.5714643800000019 0.3009606299999987
0.4653101700000022 0.5787770900000027 0.4068320399999976
0.6537709199999995 0.6385650900000002 0.5801464299999992
0.6918123000000023 0.6186059400000019 0.4941934100000012
0.6282522699999973 0.6232505799999970 0.3276953399999982
0.5608367999999970 0.5692345499999973 0.5808930900000036
0.5389681500000023 0.5417559799999978 0.4770491399999983
0.5464179499999986 0.6286277299999981 0.4974114799999967
0.6068686999999997 0.8245443899999998 0.4773892500000017
0.6099121299999979 0.7794908799999973 0.5795327900000018
0.5754994699999969 0.7499338000000009 0.4918941299999986
0.6594374599999995 0.7499790199999978 0.3134512299999983
0.7031413200000003 0.8001528699999980 0.5228986199999994
0.6601182599999973 0.4153068500000003 0.3592104599999999
0.6878302300000030 0.3997052499999967 0.5108571000000026
0.5417018400000018 0.2873704000000004 0.4180184599999990
0.5754007700000017 0.3619012899999987 0.3055033699999967
0.5409829399999992 0.4131989400000009 0.5865547900000010
0.5616411999999968 0.2946365600000007 0.5915600599999991
0.6200673299999977 0.4321778199999997 0.6815202100000022
0.6406707299999965 0.3545406499999970 0.6804282800000010
0.6427940199999966 0.2671994100000035 0.3029834800000017
0.6277577099999974 0.2180664799999974 0.3882429100000024
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