iterations/neb0_image01_iter1_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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0.6535429999999991 0.6381750500000010 0.5801087099999975
0.6917434100000008 0.6178097000000022 0.4945729200000031
0.6282237200000012 0.6234352900000033 0.3276492299999987
0.5612708999999967 0.5689633200000017 0.5802727499999989
0.5390094199999993 0.5419928900000031 0.4763493299999979
0.5466693700000036 0.6289124099999981 0.4973091999999966
0.6069942700000013 0.8241612400000022 0.4775084300000003
0.6098049399999965 0.7792469500000010 0.5798108299999996
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0.6590462799999983 0.7499138800000011 0.3137608299999997
0.7032905299999967 0.7996782999999965 0.5224580900000007
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0.5418403099999978 0.2867497399999976 0.4179767099999978
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0.5413240299999984 0.4140800999999996 0.5862784999999988
0.5612902499999990 0.2952883099999966 0.5918051399999982
0.6202924600000017 0.4320309599999987 0.6820116900000031
0.6407200900000021 0.3543307099999993 0.6801381100000015
0.6432807600000032 0.2671386399999989 0.3035780700000004
0.6282172700000004 0.2183110300000024 0.3890762400000014
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