iterations/neb0_image06_iter18_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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0.6404482800000011 0.6405468000000027 0.5586789700000026
0.6789269300000029 0.6204875399999992 0.4733321900000007
0.6150072900000012 0.6256794299999981 0.3065107099999977
0.5490921199999974 0.5720597800000036 0.5624678300000028
0.5300764899999990 0.5431116099999969 0.4587916300000003
0.5342419400000011 0.6309026099999997 0.4769652199999967
0.5938565499999982 0.8265892100000016 0.4562111700000031
0.5966778599999998 0.7816856600000008 0.5585656499999985
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0.6901623199999989 0.8021562599999967 0.5012336200000007
0.6469078499999981 0.4175899399999992 0.3374940599999974
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0.5287955800000006 0.2892663399999975 0.3967711499999993
0.5623552099999998 0.3640198299999966 0.2844966500000012
0.5281181799999999 0.4165861299999989 0.5655679799999973
0.5481712899999991 0.2975839300000018 0.5706907900000004
0.6071044899999976 0.4342482799999985 0.6607963699999999
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0.6150361700000033 0.2206029099999967 0.3677317300000027
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