./iterations/neb0_image02_iter2.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image02
@Columns AsymmetricAtom
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Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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6 {} {0.359988957655 0.551476821869 0.413668729345} C1 1 1
14 {} {0.336700518739 0.5248247246 0.524360688233} Si1 2 1
14 {} {0.421636668294 0.562290304507 0.409253693188} Si2 3 1
8 {} {0.349849169623 0.581572004366 0.600367620597} O1 4 1
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8 {} {0.434580202251 0.59729833167 0.508112847703} O3 8 1
8 {} {0.434672535945 0.613649294544 0.326141301891} O4 9 1
14 {} {0.231318773686 0.527554783263 0.558640138088} Si3 10 1
7 {} {0.211608719968 0.449462987966 0.592787244789} N1 11 1
14 {} {0.18915504872 0.441178780444 0.700239307528} Si4 12 1
14 {} {0.212172093982 0.381766128762 0.517754465659} Si5 13 1
7 {} {0.206113366966 0.403188836605 0.407410683612} N2 14 1
7 {} {0.138728628528 0.480226966856 0.720311380711} N3 15 1
1 {} {0.349973985831 0.515728444711 0.361348902391} H1 16 1
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1 {} {0.443293685498 0.457813836159 0.331570704016} H8 23 1
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1 {} {0.255483418209 0.345276272883 0.523567381425} H16 31 1
1 {} {0.174599232367 0.337080639156 0.544319426409} H17 32 1
1 {} {0.233105778916 0.417619885014 0.371233046384} H18 33 1
1 {} {0.178074142022 0.426353230454 0.385095387606} H19 34 1
1 {} {0.13794861328 0.529813545108 0.735410833565} H20 35 1
1 {} {0.110679999161 0.466485771717 0.686826066889} H21 36 1
6 {} {0.630829160956 0.641204764888 0.349337932183} C4 37 1
14 {} {0.587743462632 0.578686999078 0.386735426122} Si6 38 1
14 {} {0.625185606141 0.72968086584 0.385811912357} Si7 39 1
8 {} {0.537462394951 0.61432503978 0.381321308798} O5 40 1
8 {} {0.588511180383 0.514199739226 0.319636853943} O6 41 1
6 {} {0.598791654689 0.546729509705 0.501627292778} C5 42 1
6 {} {0.643335348365 0.746743218581 0.503033872262} C6 43 1
8 {} {0.570333290215 0.744518556366 0.374271278104} O7 44 1
8 {} {0.653043012412 0.778988627784 0.316003698767} O8 45 1
14 {} {0.582110240621 0.453800554793 0.246728551596} Si8 46 1
7 {} {0.594605452383 0.3757385478 0.289717249686} N4 47 1
14 {} {0.550990180388 0.319399784485 0.31314335247} Si9 48 1
14 {} {0.649150446918 0.350388062222 0.314947793391} Si10 49 1
7 {} {0.690256249425 0.396486388959 0.263858044231} N5 50 1
7 {} {0.526969550746 0.276226509391 0.226332976847} N6 51 1
1 {} {0.664245207914 0.622862398741 0.368118324502} H22 52 1
1 {} {0.63009458404 0.641994765871 0.275663178008} H23 53 1
1 {} {0.539704357155 0.663375460923 0.376377450499} H24 54 1
1 {} {0.630911015759 0.520159519503 0.50430380914} H25 55 1
1 {} {0.572702400076 0.511178363155 0.52195478597} H26 56 1
1 {} {0.599714621896 0.58724205524 0.551231493406} H27 57 1
1 {} {0.638076418861 0.799516457815 0.521211949833} H28 58 1
1 {} {0.678928697946 0.735347403565 0.512412753164} H29 59 1
1 {} {0.62435881016 0.716189343418 0.550793812998} H30 60 1
1 {} {0.55990520681 0.790382709148 0.371423467545} H31 61 1
1 {} {0.670869133135 0.814755917553 0.341105403008} H32 62 1
1 {} {0.534456341034 0.451914776728 0.21799379608} H33 63 1
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1 {} {0.652935914549 0.278960697764 0.28689082364} H38 68 1
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1 {} {0.504914260359 0.299645778491 0.185335023578} H41 71 1
1 {} {0.544508404293 0.240887542052 0.192423467194} H42 72 1
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