iterations/neb0_image02_iter28_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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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0.6261926199999976 0.3327474100000032 0.2904094100000023
0.6131800100000007 0.2648825400000021 0.4774617599999971
0.5077272300000004 0.4028704600000026 0.4190033000000000
0.5255922600000034 0.3913316200000025 0.5311091700000006
0.5100202899999999 0.3209818699999971 0.4658962199999976
0.5047478500000011 0.1747104100000030 0.2638296299999965
0.5047169099999991 0.2520011200000027 0.2051032399999997
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0.6744934900000032 0.4522413299999997 0.5413209499999994
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0.6300335299999986 0.6845418699999968 0.4266077699999968
0.6076493500000026 0.5580289500000006 0.2689207800000020
0.6557776399999966 0.5999907100000001 0.2747738799999979
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