iterations/neb0_image04_iter19_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
0.3548006400000006 0.5454112700000024 0.4224586699999975
0.3674110799999966 0.4364236899999980 0.5688988799999990
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0.4099197099999969 0.5877935199999982 0.4181870000000032
0.2304927599999971 0.4959358400000013 0.5561265400000011
0.1748445599999968 0.4129768700000014 0.6794654600000030
0.2264485099999973 0.3472405400000014 0.5235926499999977
0.5825056199999992 0.3706437100000031 0.4264679699999974
0.5712056699999977 0.2482380200000023 0.2915510600000033
0.6487388999999979 0.4906244399999977 0.4601325900000006
0.6396474399999974 0.5994361099999992 0.5975627299999999
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0.2828480299999967 0.4902851599999991 0.5255056000000025
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0.4575195399999998 0.4995724300000006 0.3510294700000003
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0.4387115999999978 0.6472774300000026 0.3017293899999984
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0.2050210399999983 0.5225896000000034 0.4784025800000009
0.1619892300000032 0.3412769700000027 0.6876395399999993
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0.1933063800000028 0.2938467900000035 0.5439578499999982
0.2541054599999981 0.3836477099999982 0.3821177100000028
0.1992076800000007 0.3703527300000005 0.3760474600000023
0.1271541099999993 0.5088973699999997 0.6960008399999964
0.1046689300000025 0.4553418200000010 0.6225207700000013
0.5677520200000004 0.3690552400000016 0.2634802899999968
0.6225117299999994 0.3424257499999968 0.2898204399999997
0.6094990200000012 0.2745906899999966 0.4769585700000007
0.5043442999999996 0.4119034799999994 0.4183362699999975
0.5219547599999999 0.4008761699999965 0.5305237700000021
0.5064109500000029 0.3302454199999971 0.4655258299999971
0.5010280699999967 0.1844607000000025 0.2633110800000011
0.5010406099999969 0.2617093699999984 0.2045820800000016
0.4898954499999988 0.2604267500000006 0.3207236699999996
0.5892368399999981 0.1612078300000022 0.3834955499999992
0.5877077099999966 0.2072094700000022 0.1528862400000008
0.6707671500000032 0.4619407100000004 0.5407219599999991
0.6804432500000033 0.4903049500000023 0.3833962400000033
0.6122005499999972 0.6614822299999972 0.6040279899999987
0.6233601899999996 0.5464479899999972 0.6590435800000023
0.5595271899999972 0.6246944299999981 0.4157191199999986
0.6263109100000008 0.6942721400000025 0.4260620100000025
0.6040129200000024 0.5677406900000008 0.2683834199999993
0.6520406699999981 0.6096922400000011 0.2742055699999995
0.7138512200000022 0.5820537800000025 0.6516540499999977
0.7094709100000003 0.6583088799999999 0.6066865499999992
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