iterations/neb0_image04_iter20_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
0.3548008599999974 0.5454067300000034 0.4224610200000001
0.3674134600000016 0.4364161900000028 0.5689003199999974
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0.5103232299999974 0.2375968099999994 0.2679626199999987
0.3357391999999990 0.5123200700000012 0.5334838500000032
0.4099072200000009 0.5878186899999989 0.4181798999999984
0.2304877500000018 0.4959234100000032 0.5561254500000032
0.1748477000000008 0.4129737399999982 0.6794675900000016
0.2264477599999992 0.3472313600000021 0.5235874500000008
0.5825193299999967 0.3706268999999978 0.4264733400000011
0.5712038899999996 0.2482489699999988 0.2915526900000032
0.6487331399999974 0.4906196900000026 0.4601346099999972
0.6396648699999972 0.5994534399999978 0.5975747399999989
0.6093081900000001 0.6253834899999973 0.4081195999999991
0.3390488399999967 0.5725691299999980 0.6087495000000018
0.2828585700000019 0.4902671899999973 0.5254990899999967
0.4116333099999991 0.6319682999999969 0.5134572300000002
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0.6050048399999994 0.4458458699999994 0.4313876900000011
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0.3640741000000034 0.3954092999999972 0.5204288999999989
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0.4908005200000005 0.5577619999999968 0.4112633599999995
0.4575020099999989 0.4995951599999984 0.3510329699999986
0.4597631600000014 0.4963522899999973 0.4693613099999965
0.4368819299999984 0.6613327299999980 0.5235897000000023
0.4387090299999983 0.6472775499999983 0.3017388800000020
0.2247609599999976 0.5416509300000030 0.6340765300000015
0.2050259999999966 0.5225854999999981 0.4783972000000034
0.1619964799999991 0.3412736499999980 0.6876486700000015
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0.2723829500000008 0.3255910099999966 0.5484967599999990
0.1933042400000033 0.2938369399999985 0.5439613899999998
0.2541043900000020 0.3836397099999971 0.3821211400000024
0.1992071199999970 0.3703506700000005 0.3760476599999976
0.1271588800000032 0.5088936399999966 0.6959964799999980
0.1046719899999999 0.4553352200000020 0.6225230000000010
0.5677519600000025 0.3690641700000015 0.2634803500000018
0.6225131500000032 0.3424339700000019 0.2898161000000030
0.6095027900000005 0.2745864500000010 0.4769570500000029
0.5043760000000006 0.4118484999999978 0.4183097299999972
0.5219585999999978 0.4008651199999989 0.5305191799999989
0.5064182300000013 0.3302057100000013 0.4655379499999981
0.5010335999999995 0.1844659100000001 0.2633199300000015
0.5010351299999982 0.2617113499999988 0.2045893700000008
0.4898948499999989 0.2604254299999980 0.3207360800000032
0.5892455099999978 0.1612135299999977 0.3834879200000003
0.5877035899999967 0.2072202200000035 0.1528770999999978
0.6707656299999982 0.4619507000000027 0.5407195399999978
0.6804364999999990 0.4903125399999979 0.3833896200000027
0.6121949500000028 0.6614771099999999 0.6040000300000017
0.6233560800000006 0.5464540500000012 0.6589968500000012
0.5595141599999991 0.6247179499999973 0.4157055599999993
0.6263090099999999 0.6942802900000018 0.4260278100000008
0.6040039299999975 0.5677701299999995 0.2683746499999984
0.6520147900000026 0.6096947200000002 0.2742179199999981
0.7138582500000012 0.5820460199999999 0.6516603999999973
0.7094822299999990 0.6583416300000025 0.6066824600000018
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