iterations/neb0_image02_iter6.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 {} {0.351097833197 0.555082150444 0.421910069258} C1 1 1
14 {} {0.332056531379 0.522080787729 0.532962167673} Si1 2 1
14 {} {0.406336350345 0.597210057423 0.417703970309} Si2 3 1
8 {} {0.335316483137 0.582327060146 0.608213979599} O1 4 1
8 {} {0.279090303109 0.500066024291 0.525012327866} O2 5 1
6 {} {0.363702284881 0.446106636666 0.568348623139} C2 6 1
6 {} {0.455414876477 0.539608250265 0.411435305327} C3 7 1
8 {} {0.407943001932 0.641620863836 0.512790489345} O3 8 1
8 {} {0.406659831568 0.648104926766 0.329930353209} O4 9 1
14 {} {0.226825881057 0.505683905251 0.555606100239} Si3 10 1
7 {} {0.207173457669 0.426977982564 0.587050873066} N1 11 1
14 {} {0.171131786547 0.422657526339 0.678915650156} Si4 12 1
14 {} {0.222781004919 0.356956453426 0.523053765959} Si5 13 1
7 {} {0.22398797919 0.369321753287 0.409463388361} N2 14 1
7 {} {0.123612460729 0.470968389845 0.671731457105} N3 15 1
1 {} {0.350658873675 0.514656016403 0.371865222929} H1 16 1
1 {} {0.326174641852 0.592240489808 0.399891042981} H2 17 1
1 {} {0.359104558163 0.614495772759 0.59514886855} H3 18 1
1 {} {0.360380151047 0.40511017594 0.519847225709} H4 19 1
1 {} {0.351030022506 0.428050130903 0.632850944087} H5 20 1
1 {} {0.399419881454 0.457092556542 0.576634317521} H6 21 1
1 {} {0.487204033598 0.567256637905 0.410659000388} H7 22 1
1 {} {0.453993469807 0.509013342768 0.350457544093} H8 23 1
1 {} {0.456385019055 0.505437476221 0.468867186965} H9 24 1
1 {} {0.433199709137 0.670943668516 0.523086633788} H10 25 1
1 {} {0.43501583473 0.656895804017 0.301133856604} H11 26 1
1 {} {0.22103593368 0.551351889833 0.633617105891} H12 27 1
1 {} {0.201301566582 0.532257654446 0.47790964246} H13 28 1
1 {} {0.158251407253 0.350947303207 0.687038491846} H14 29 1
1 {} {0.194175460719 0.446985246916 0.760796047928} H15 30 1
1 {} {0.268693588322 0.335289018569 0.548010952241} H16 31 1
1 {} {0.189643233506 0.30356772192 0.543391344267} H17 32 1
1 {} {0.250420751338 0.393337899402 0.381557287868} H18 33 1
1 {} {0.195518104562 0.380010949543 0.37550067284} H19 34 1
1 {} {0.1234354626 0.518561848641 0.695495255957} H20 35 1
1 {} {0.100955884664 0.465027683764 0.621958213082} H21 36 1
6 {} {0.590853681421 0.327582553807 0.309980396098} C4 37 1
14 {} {0.586086994445 0.36113575502 0.426949027371} Si6 38 1
14 {} {0.574910748106 0.238533002088 0.292049628695} Si7 39 1
8 {} {0.614707206832 0.312048743803 0.495003993829} O5 40 1
8 {} {0.608717116208 0.436126179793 0.431976239303} O6 41 1
6 {} {0.526824329979 0.369851566556 0.463591731283} C5 42 1
6 {} {0.514009315226 0.227874546271 0.268425738121} C6 43 1
8 {} {0.590175581075 0.199855262148 0.386328441496} O7 44 1
8 {} {0.604629632998 0.201528176984 0.212156873766} O8 45 1
14 {} {0.652452458774 0.481036508768 0.460613246592} Si8 46 1
7 {} {0.636978167657 0.562080556 0.487784949324} N4 47 1
14 {} {0.64323983585 0.589655393759 0.597936818636} Si9 48 1
14 {} {0.613043985845 0.615746932664 0.408329559564} Si10 49 1
7 {} {0.624035388855 0.596704036148 0.29891045755} N5 50 1
7 {} {0.696335128703 0.609527810023 0.634254697144} N6 51 1
1 {} {0.571439020099 0.359350079838 0.264026553104} H22 52 1
1 {} {0.626186074809 0.332721670375 0.290389683489} H23 53 1
1 {} {0.613158009197 0.264936818865 0.47749301928} H24 54 1
1 {} {0.507705966214 0.402827278077 0.419025372953} H25 55 1
1 {} {0.525604786957 0.391324975516 0.531113186236} H26 56 1
1 {} {0.510036945954 0.320948351036 0.465956840636} H27 57 1
1 {} {0.504675332091 0.174772452096 0.263782182719} H28 58 1
1 {} {0.504763724888 0.252054646732 0.205065215338} H29 59 1
1 {} {0.493587018672 0.250789945591 0.321162396691} H30 60 1
1 {} {0.592864731481 0.151509259165 0.384081643979} H31 61 1
1 {} {0.591418582718 0.197489778443 0.153467938863} H32 62 1
1 {} {0.67447093453 0.452218383625 0.541301760368} H33 63 1
1 {} {0.684173979045 0.480603431095 0.383996461144} H34 64 1
1 {} {0.61593064667 0.651886752983 0.604780969921} H35 65 1
1 {} {0.627079156237 0.53675719428 0.659940760001} H36 66 1
1 {} {0.563309174246 0.614886228119 0.416369463989} H37 67 1
1 {} {0.63001796583 0.684567412796 0.426852354912} H38 68 1
1 {} {0.607774307326 0.557937098549 0.269040751414} H39 69 1
1 {} {0.655820710643 0.600022367945 0.274737780157} H40 70 1
1 {} {0.717549650402 0.572383665318 0.652190806217} H41 71 1
1 {} {0.713138022815 0.648549457457 0.607173991935} H42 72 1
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