./iterations/neb0_image07_iter18.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.369578754812 0.575857742204 0.411761184106} C1 1 1
14 {} {0.346364598929 0.549157836346 0.522203499637} Si1 2 1
14 {} {0.431093277194 0.585652602322 0.407337839388} Si2 3 1
8 {} {0.359474219639 0.605858671104 0.598437032196} O1 4 1
8 {} {0.291392056541 0.547416990706 0.515340509494} O2 5 1
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6 {} {0.460055035141 0.503320779678 0.392951014114} C3 7 1
8 {} {0.443965203187 0.621722460028 0.505708937019} O3 8 1
8 {} {0.443391496823 0.638525049773 0.325055495874} O4 9 1
14 {} {0.240956496788 0.551995445825 0.556590988961} Si3 10 1
7 {} {0.221247965769 0.473795896077 0.590800895819} N1 11 1
14 {} {0.198794121305 0.465498502996 0.698267248955} Si4 12 1
14 {} {0.221800644166 0.406116691306 0.515687630448} Si5 13 1
7 {} {0.215727181511 0.427453001672 0.405319554657} N2 14 1
7 {} {0.148339921067 0.504517185466 0.718393361463} N3 15 1
1 {} {0.35965333936 0.540049471363 0.359443047773} H1 16 1
1 {} {0.354017426038 0.624141842362 0.394691601421} H2 17 1
1 {} {0.3893073272 0.624244348447 0.588664487858} H3 18 1
1 {} {0.35655671722 0.425316826712 0.507715850198} H4 19 1
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1 {} {0.451462107257 0.480077480792 0.328460972586} H8 23 1
1 {} {0.454550138167 0.468301924407 0.448555625796} H9 24 1
1 {} {0.47481440171 0.635387432365 0.51284587558} H10 25 1
1 {} {0.47494214609 0.639180561415 0.31035450738} H11 26 1
1 {} {0.239198527542 0.596104816525 0.636886729495} H12 27 1
1 {} {0.212028954598 0.580030484923 0.485006642064} H13 28 1
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1 {} {0.265075177852 0.369583688733 0.521539886903} H16 31 1
1 {} {0.184207244702 0.361494944187 0.542286030542} H17 32 1
1 {} {0.242722008298 0.441973057047 0.36922420044} H18 33 1
1 {} {0.187691203868 0.450752382161 0.383079033842} H19 34 1
1 {} {0.147578705855 0.554122253061 0.733391278723} H20 35 1
1 {} {0.120300600644 0.490770741897 0.684816836196} H21 36 1
6 {} {0.622124463898 0.61719104805 0.351078332367} C4 37 1
14 {} {0.580009808136 0.554699090836 0.388756669469} Si6 38 1
14 {} {0.615737781153 0.705370676828 0.387886277333} Si7 39 1
8 {} {0.531865884922 0.595483578879 0.383368014644} O5 40 1
8 {} {0.57896851334 0.490240162579 0.321484204536} O6 41 1
6 {} {0.589329138462 0.522352629996 0.503830623502} C5 42 1
6 {} {0.633699471549 0.72243280255 0.505056495515} C6 43 1
8 {} {0.560785600076 0.720588429566 0.376367165199} O7 44 1
8 {} {0.643362090573 0.754727586541 0.318008518306} O8 45 1
14 {} {0.572459368856 0.4294847941 0.24875225335} Si8 46 1
7 {} {0.585020178943 0.351475296908 0.291708049805} N4 47 1
14 {} {0.541305443486 0.295107926648 0.31516820806} Si9 48 1
14 {} {0.639518056386 0.326076337447 0.316927749137} Si10 49 1
7 {} {0.680630865091 0.37230334408 0.265770931344} N5 50 1
7 {} {0.517474354371 0.252054599175 0.228327653474} N6 51 1
1 {} {0.655302527499 0.598793510171 0.369843156552} H22 52 1
1 {} {0.62053976772 0.617648058548 0.277563693172} H23 53 1
1 {} {0.533535682367 0.64452190154 0.378958743736} H24 54 1
1 {} {0.621356094168 0.495729265458 0.506720607028} H25 55 1
1 {} {0.56301445274 0.487014827225 0.523714749742} H26 56 1
1 {} {0.590082027324 0.563004885349 0.553245968767} H27 57 1
1 {} {0.628455215332 0.775211961593 0.523224590256} H28 58 1
1 {} {0.669293238617 0.711019037614 0.514393588838} H29 59 1
1 {} {0.614742402441 0.691870699497 0.552825988257} H30 60 1
1 {} {0.550233413651 0.766352751024 0.373362526303} H31 61 1
1 {} {0.661231417534 0.790468928159 0.343022141991} H32 62 1
1 {} {0.524808010248 0.427626835387 0.219980928024} H33 63 1
1 {} {0.601699642876 0.445628231921 0.171299346395} H34 64 1
1 {} {0.56132528867 0.24441652071 0.37640389756} H35 65 1
1 {} {0.504535710103 0.333206383021 0.358518657545} H36 66 1
1 {} {0.648838912141 0.332190858209 0.414459908841} H37 67 1
1 {} {0.643355862178 0.25465620634 0.288850181131} H38 68 1
1 {} {0.693862852955 0.413083277822 0.296159233873} H39 69 1
1 {} {0.683571118542 0.375248350114 0.198476521074} H40 70 1
1 {} {0.495269128083 0.275252056257 0.187351186524} H41 71 1
1 {} {0.534881285309 0.216560582053 0.194366282761} H42 72 1
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