iterations/neb0_image07_iter40_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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0.6415564400000022 0.6524943699999994 0.4769421800000018
0.7645661600000011 0.7078440900000018 0.4487818599999969
0.5439725700000011 0.6051412999999997 0.2743182000000033
0.7256447700000024 0.7512764800000014 0.9986639700000026
0.9766638299999997 0.3522731699999966 0.9659582299999983
0.6012851600000033 0.5214818399999999 0.6042397699999995
0.5591098299999970 0.8297799099999992 0.3931675400000003
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0.4956302900000011 0.2959518600000024 0.3423390800000021
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0.5131604199999984 0.2935646500000004 0.5174968099999973
0.5674581299999986 0.4332722899999979 0.6108430999999968
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0.5722879300000017 0.2170740099999975 0.2851666899999969
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