iterations/neb0_image02_iter17.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_image02
@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 {} {0.351092792722 0.555075892216 0.421933268626} C1 1 1
14 {} {0.332026139212 0.522046595508 0.532974386981} Si1 2 1
14 {} {0.406324546241 0.597216549738 0.417713804074} Si2 3 1
8 {} {0.335331002274 0.582298659664 0.608232171438} O1 4 1
8 {} {0.279114808619 0.500035413871 0.524986734527} O2 5 1
6 {} {0.363696705375 0.44609201289 0.568358987835} C2 6 1
6 {} {0.455417794433 0.539618074864 0.411439654176} C3 7 1
8 {} {0.4079383161 0.641632095732 0.512792533445} O3 8 1
8 {} {0.406652843486 0.648134567586 0.329950472155} O4 9 1
14 {} {0.226785893936 0.505666345024 0.555604894554} Si3 10 1
7 {} {0.207167215375 0.426952885376 0.587041767635} N1 11 1
14 {} {0.171137642957 0.422668792823 0.678917870866} Si4 12 1
14 {} {0.222774710208 0.356954670471 0.523020518789} Si5 13 1
7 {} {0.223984413131 0.369272152783 0.409405767544} N2 14 1
7 {} {0.123604401221 0.470965306683 0.671777931256} N3 15 1
1 {} {0.350659335184 0.514654035645 0.371880631415} H1 16 1
1 {} {0.326161306217 0.592226341807 0.399886527354} H2 17 1
1 {} {0.35910429103 0.614482806655 0.595132529339} H3 18 1
1 {} {0.360375142513 0.40509388156 0.519863669881} H4 19 1
1 {} {0.351033318494 0.428029099431 0.632867608392} H5 20 1
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1 {} {0.487196439137 0.567262220104 0.410671031417} H7 22 1
1 {} {0.453994750099 0.509025561013 0.350472215813} H8 23 1
1 {} {0.456384923954 0.505447169579 0.46886772624} H9 24 1
1 {} {0.433185888369 0.670969711588 0.523078187254} H10 25 1
1 {} {0.435010106893 0.656882597244 0.301122973954} H11 26 1
1 {} {0.221040882008 0.551349948936 0.633590415921} H12 27 1
1 {} {0.201305988834 0.532269277535 0.477884097482} H13 28 1
1 {} {0.158268814302 0.350973458275 0.687069009283} H14 29 1
1 {} {0.194191426129 0.447025870559 0.760797874023} H15 30 1
1 {} {0.268694584696 0.335289064654 0.547976827132} H16 31 1
1 {} {0.189642462601 0.303570445297 0.543385983353} H17 32 1
1 {} {0.250420135649 0.393340532617 0.381526250738} H18 33 1
1 {} {0.195503751858 0.380029184574 0.375483814788} H19 34 1
1 {} {0.123442995956 0.518587050621 0.695483261755} H20 35 1
1 {} {0.100956869717 0.465028387416 0.621968561108} H21 36 1
6 {} {0.590858999304 0.327607131158 0.309979794544} C4 37 1
14 {} {0.586076891785 0.361094086844 0.42697725084} Si6 38 1
14 {} {0.574912585085 0.238535121333 0.292035140626} Si7 39 1
8 {} {0.614703431898 0.312024682543 0.49501924235} O5 40 1
8 {} {0.60873846127 0.436123049876 0.431984178963} O6 41 1
6 {} {0.526828327173 0.369868918384 0.463589187379} C5 42 1
6 {} {0.514022027705 0.22786288279 0.268428843556} C6 43 1
8 {} {0.590160266464 0.199858567594 0.386306403006} O7 44 1
8 {} {0.604655154008 0.201611619042 0.212130517518} O8 45 1
14 {} {0.652452727181 0.480988611558 0.460661594333} Si8 46 1
7 {} {0.636967561286 0.562076157436 0.487719500167} N4 47 1
14 {} {0.643296190471 0.589696243181 0.598024491323} Si9 48 1
14 {} {0.613041262425 0.615729169354 0.408457931216} Si10 49 1
7 {} {0.624100046591 0.59649634695 0.299005279952} N5 50 1
7 {} {0.696281477704 0.609587321897 0.634414630679} N6 51 1
1 {} {0.57144102583 0.359370888167 0.264023616248} H22 52 1
1 {} {0.626189945481 0.332730100842 0.290396731544} H23 53 1
1 {} {0.61316721767 0.264922770476 0.477480186593} H24 54 1
1 {} {0.507711272261 0.402842991527 0.419016118852} H25 55 1
1 {} {0.525599785951 0.391326709855 0.531109507677} H26 56 1
1 {} {0.510032447585 0.320964840119 0.465929134355} H27 57 1
1 {} {0.504703707765 0.174750300194 0.263804289042} H28 58 1
1 {} {0.504744469345 0.252033762131 0.205082045179} H29 59 1
1 {} {0.493600733909 0.250749297717 0.32119055369} H30 60 1
1 {} {0.59290771269 0.151531891599 0.384045285936} H31 61 1
1 {} {0.591424867567 0.197508214506 0.153462667466} H32 62 1
1 {} {0.67447602943 0.452236617699 0.54129478408} H33 63 1
1 {} {0.68415423404 0.480611714551 0.383977341481} H34 64 1
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1 {} {0.627077416994 0.5367624826 0.659787744456} H36 66 1
1 {} {0.563261773574 0.614950990938 0.416339281853} H37 67 1
1 {} {0.630025688601 0.684569646221 0.426733889255} H38 68 1
1 {} {0.607749722345 0.55803195543 0.269026154689} H39 69 1
1 {} {0.655765008743 0.60000776101 0.274767343798} H40 70 1
1 {} {0.717571780804 0.572358106514 0.652211877663} H41 71 1
1 {} {0.713171546366 0.648609908768 0.607185546748} H42 72 1
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