iterations/neb0_image03_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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0.3066027300000016 0.4768027499999974 0.5465334000000013
0.3538191800000021 0.4917610099999976 0.6017292499999982
0.4872113899999988 0.5688084499999988 0.3074370000000002
0.4653478500000006 0.5789985899999976 0.4090603499999972
0.6493793699999983 0.6399808500000006 0.5713741200000015
0.6880308200000016 0.6207497500000017 0.4859295999999986
0.6222562499999995 0.6239512499999975 0.3192821600000002
0.5581728499999983 0.5721628000000010 0.5774957699999987
0.5369573899999978 0.5403367400000008 0.4750011599999979
0.5419101700000013 0.6282574800000020 0.4909029499999988
0.6015999399999998 0.8256103399999972 0.4683140899999998
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0.5705126000000007 0.7509038199999978 0.4829370300000022
0.6541033099999964 0.7509886100000003 0.3043035500000002
0.6979167699999991 0.8021050199999991 0.5145689699999991
0.6546376900000013 0.4162453499999970 0.3506865499999989
0.6825719799999987 0.4009082899999967 0.5024290799999989
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0.5350863999999973 0.4135714800000017 0.5793835999999999
0.5564161100000007 0.2952280499999986 0.5837699599999979
0.6142272900000023 0.4333402800000030 0.6736058700000029
0.6353416199999984 0.3557688799999994 0.6720121000000034
0.6368186199999997 0.2682755100000023 0.2933934500000035
0.6215471300000033 0.2185287499999973 0.3777752499999991
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