iterations/neb0_image06_iter5.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image06
@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 {} {0.35849288137 0.535790349161 0.422976739412} C1 1 1
14 {} {0.339406513417 0.502784962935 0.534026084544} Si1 2 1
14 {} {0.413681587576 0.578035605372 0.418732943339} Si2 3 1
8 {} {0.342695888277 0.563041047012 0.609272930077} O1 4 1
8 {} {0.286542745013 0.480783790489 0.526080098837} O2 5 1
6 {} {0.37108486682 0.426818906997 0.569416213094} C2 6 1
6 {} {0.462578011142 0.520748632301 0.412527378699} C3 7 1
8 {} {0.415327579231 0.622304092415 0.51387669626} O3 8 1
8 {} {0.414022107124 0.62883729658 0.330960042962} O4 9 1
14 {} {0.234184554421 0.486371441383 0.556698174865} Si3 10 1
7 {} {0.214550618434 0.407695491374 0.588124910359} N1 11 1
14 {} {0.178513566643 0.403356866651 0.679962319066} Si4 12 1
14 {} {0.230140722659 0.337696533124 0.524177063266} Si5 13 1
7 {} {0.231368534511 0.350022543324 0.410567142926} N2 14 1
7 {} {0.131001587807 0.451663213133 0.672801209374} N3 15 1
1 {} {0.358031993321 0.49535540349 0.372929863769} H1 16 1
1 {} {0.333552874254 0.572950884812 0.400966220956} H2 17 1
1 {} {0.366474575387 0.595197513958 0.596226857061} H3 18 1
1 {} {0.367756695145 0.385819955762 0.520917791801} H4 19 1
1 {} {0.358406202507 0.408760785857 0.633916708608} H5 20 1
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1 {} {0.494559838075 0.547954512413 0.411764828631} H7 22 1
1 {} {0.461304386943 0.489817162382 0.351545164878} H8 23 1
1 {} {0.463604797273 0.486528411354 0.469811256551} H9 24 1
1 {} {0.440576849591 0.651639846482 0.524151586592} H10 25 1
1 {} {0.442388643937 0.637618865601 0.302236126288} H11 26 1
1 {} {0.228410898758 0.532059766952 0.634698622936} H12 27 1
1 {} {0.208674553165 0.512961597974 0.478984425755} H13 28 1
1 {} {0.165622133683 0.331637439502 0.688108853734} H14 29 1
1 {} {0.201547991307 0.427681029541 0.761874511823} H15 30 1
1 {} {0.276075977139 0.315989267444 0.549091372998} H16 31 1
1 {} {0.197016289082 0.284263037055 0.544466759509} H17 32 1
1 {} {0.257798570254 0.37404853945 0.382633909396} H18 33 1
1 {} {0.202894414764 0.360714355639 0.376571429555} H19 34 1
1 {} {0.130807637524 0.499258059597 0.696566847032} H20 35 1
1 {} {0.108330741966 0.445734011267 0.623025142662} H21 36 1
6 {} {0.583480759992 0.34688704428 0.308905578235} C4 37 1
14 {} {0.57867534551 0.3803147715 0.425979799211} Si6 38 1
14 {} {0.567529165482 0.257779259964 0.290971527528} Si7 39 1
8 {} {0.607362095556 0.3313624094 0.493903636219} O5 40 1
8 {} {0.601353297227 0.455524715984 0.430879831377} O6 41 1
6 {} {0.519597548111 0.38883531405 0.462409947033} C5 42 1
6 {} {0.506629615647 0.24718609645 0.267346495378} C6 43 1
8 {} {0.582791993077 0.219149626801 0.385254848526} O7 44 1
8 {} {0.597243720604 0.220811301977 0.211109350313} O8 45 1
14 {} {0.64510073985 0.500275967813 0.459637417464} Si8 46 1
7 {} {0.629516627916 0.581394084676 0.486341128208} N4 47 1
14 {} {0.636037305256 0.609057618465 0.597122305622} Si9 48 1
14 {} {0.605677109032 0.635082597303 0.407629709579} Si10 49 1
7 {} {0.616715558759 0.615944932898 0.297520322065} N5 50 1
7 {} {0.688795541287 0.628755452924 0.633107478602} N6 51 1
1 {} {0.564062277836 0.378639724393 0.262944483714} H22 52 1
1 {} {0.618808578162 0.352015796398 0.289310055208} H23 53 1
1 {} {0.60578012294 0.284233590915 0.476425722869} H24 54 1
1 {} {0.500627239115 0.421561786002 0.418113284624} H25 55 1
1 {} {0.518244012082 0.410595162942 0.530002377123} H26 56 1
1 {} {0.50268851656 0.34015110338 0.464927939796} H27 57 1
1 {} {0.49729291149 0.194072875192 0.262703478453} H28 58 1
1 {} {0.497391942487 0.271351602778 0.203982834104} H29 59 1
1 {} {0.486208148435 0.270095355993 0.320090811532} H30 60 1
1 {} {0.585476071548 0.170804324727 0.383015809064} H31 61 1
1 {} {0.584036621996 0.216776360137 0.152378750376} H32 62 1
1 {} {0.667084960207 0.471515970969 0.540193369041} H33 63 1
1 {} {0.676804310595 0.499905913155 0.382907799347} H34 64 1
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1 {} {0.619689250645 0.556025945394 0.658910788109} H36 66 1
1 {} {0.555954456529 0.634151671729 0.415287133328} H37 67 1
1 {} {0.62262712487 0.703835687481 0.425786067147} H38 68 1
1 {} {0.600411679869 0.577242313567 0.267985812336} H39 69 1
1 {} {0.648397991368 0.619329440836 0.273715062428} H40 70 1
1 {} {0.71019607366 0.591651545359 0.651119543941} H41 71 1
1 {} {0.70578215467 0.667874158149 0.60606290587} H42 72 1
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