iterations/neb0_image08_iter62_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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0.6522972799999991 0.6523368200000021 0.5401206800000011
0.6937819799999971 0.6497863600000002 0.4704675400000013
0.5931938100000025 0.6232417800000007 0.3021984000000018
0.5828348900000009 0.6079794799999974 0.5866802299999989
0.5598981600000030 0.5300623999999985 0.5638275900000025
0.5390001999999967 0.5932381399999969 0.5082070799999983
0.5831901800000026 0.8252898799999997 0.4348126100000016
0.5854187899999985 0.7829395799999972 0.5369116399999996
0.5532336699999973 0.7514094400000033 0.4483756099999994
0.6327086499999979 0.7553959299999988 0.2674784499999987
0.6803044299999996 0.8140412899999987 0.4825680000000006
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0.6649740000000008 0.3948737999999992 0.4680348699999968
0.5167364500000033 0.2911968200000032 0.3775603500000031
0.5495522599999987 0.3666764999999970 0.2654100399999990
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0.6011944500000013 0.2214307599999970 0.3444816499999988
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