iterations/neb0_image03_iter2_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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0.3655450400000007 0.4413001599999973 0.5686079700000022
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0.2031352200000001 0.5274341900000010 0.4781895400000025
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0.5695985699999966 0.3641586399999994 0.2637652599999996
0.6243414300000012 0.3375362399999986 0.2901182599999999
0.6113127699999978 0.2697465999999977 0.4772320699999995
0.5058667899999989 0.4076342299999993 0.4187666400000012
0.5237671499999976 0.3961391100000000 0.5308400600000027
0.5081949300000019 0.3257501900000008 0.4657052600000000
0.5028241999999992 0.1795964599999991 0.2635024300000026
0.5029304800000034 0.2568823399999971 0.2047828899999971
0.4917384999999967 0.2556285799999998 0.3208860900000019
0.5910015299999998 0.1563261599999990 0.3838238000000018
0.5895719299999982 0.2022964100000024 0.1531897699999973
0.6726211200000023 0.4570295099999981 0.5410097199999981
0.6823477800000006 0.4854152899999988 0.3837212800000032
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0.6252412899999982 0.5415590500000036 0.6597750600000012
0.5614996099999985 0.6196649199999982 0.4161380999999977
0.6281642599999984 0.6893548600000017 0.4266612300000006
0.6059695100000013 0.5627888699999986 0.2688626600000035
0.6539074100000022 0.6048457899999988 0.2745686900000024
0.7157574399999973 0.5771324099999973 0.6519563800000014
0.7113360299999982 0.6534389700000034 0.6068380399999995
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