iterations/neb0_image01_iter66_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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0.6540423100000012 0.6391860800000018 0.5803255399999969
0.6918338799999972 0.6190791399999966 0.4939301400000033
0.6283957699999974 0.6229962499999999 0.3280336500000018
0.5607491299999978 0.5694513899999976 0.5813927100000029
0.5391303999999977 0.5414070400000028 0.4775601600000030
0.5463108900000009 0.6284427599999987 0.4973008899999982
0.6067069599999968 0.8249082500000000 0.4771019499999980
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0.7029475699999992 0.8006181599999991 0.5235269399999964
0.6602707799999976 0.4156298799999973 0.3598303099999995
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0.5406337200000024 0.4122255699999968 0.5868302000000014
0.5620951000000005 0.2940058599999986 0.5914433399999979
0.6198446599999983 0.4322032199999981 0.6812321100000034
0.6405879499999969 0.3547959699999979 0.6807307600000030
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0.6272403400000002 0.2179328400000031 0.3874004400000004
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