./neb0_image00_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
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
0.3562150799999984 0.5419337499999983 0.4144553100000010
0.3518680399999994 0.4300687799999992 0.5598244600000015
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0.6346027399999983 0.6507487200000028 0.3485531299999991
0.6025654600000010 0.5562726799999993 0.5008425700000032
0.6471089400000025 0.7562865399999978 0.5022491900000006
0.3329287099999974 0.5152821699999990 0.5251458600000021
0.4178623700000017 0.5527468700000000 0.4100386000000000
0.2275468500000031 0.5180142099999969 0.5594247499999980
0.1853813299999985 0.4316351599999990 0.7010263800000018
0.2083988300000001 0.3722211299999998 0.5185401299999981
0.5915168599999987 0.5882294900000034 0.3859488299999967
0.6289599099999990 0.7392230900000030 0.3850259700000009
0.5858842800000019 0.4633418399999982 0.2459448899999970
0.5547645799999970 0.3289426799999973 0.3123568800000029
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0.3460749699999965 0.5720286500000000 0.6011532300000013
0.2779307200000005 0.5133977999999999 0.5182060599999971
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0.4395199900000009 0.4482712300000031 0.3323556300000021
0.4429878899999977 0.4369788300000010 0.4498518899999979
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0.4628714199999990 0.6069621500000011 0.3155745099999976
0.2257980700000033 0.5622286099999982 0.6396823700000027
0.1986658800000001 0.5461645999999973 0.4877699199999981
0.1786656100000030 0.3585558300000002 0.7153044399999970
0.2169216500000033 0.4608366100000012 0.7670521200000024
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0.1708255699999981 0.3275374799999966 0.5451047800000026
0.2293320699999981 0.4080765599999978 0.3720184200000034
0.1743002700000034 0.4168099099999978 0.3858807299999967
0.1341747499999997 0.5202707500000017 0.7361964799999967
0.1069059900000013 0.4569428400000035 0.6876113200000020
0.6680194500000027 0.6324052300000034 0.3673331299999987
0.6338684299999997 0.6515376999999987 0.2748771199999993
0.5434774900000008 0.6729179299999970 0.3755915899999991
0.6346849899999967 0.5297022399999989 0.5035179500000027
0.5764764199999988 0.5207211700000016 0.5211691399999978
0.6034885400000007 0.5967846799999990 0.5504459599999976
0.6418501500000033 0.8090593399999975 0.5204264600000030
0.6827023399999987 0.7448904399999989 0.5116273200000023
0.6281326000000007 0.7257323500000012 0.5500083399999980
0.5636789500000035 0.7999257800000024 0.3706379500000025
0.6746428599999987 0.8242988200000028 0.3403200099999992
0.5382299500000016 0.4614580499999974 0.2172083199999975
0.6150903500000027 0.4794288300000034 0.1684244599999971
0.5747238800000005 0.2782759400000003 0.3736264799999987
0.5180210199999991 0.3669473799999992 0.3556782699999985
0.6622215699999998 0.3659833999999975 0.4116709299999997
0.6567093700000015 0.2885035700000032 0.2861057399999964
0.7072047500000025 0.4469219899999999 0.2933541900000023
0.6969747899999987 0.4090967400000025 0.1957006399999983
0.5086879699999969 0.3091892699999974 0.1845496099999977
0.5482823299999993 0.2504304899999994 0.1916384900000025
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