iterations/neb0_image01_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_image01
@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 {} {0.349255862634 0.559863756186 0.421635067365} C1 1 1
14 {} {0.3301837885 0.526834776467 0.532676843486} Si1 2 1
14 {} {0.404475966885 0.602023121546 0.41737921751} Si2 3 1
8 {} {0.33347928879 0.587116088277 0.607921186286} O1 4 1
8 {} {0.277269708717 0.504946868505 0.524705378293} O2 5 1
6 {} {0.361866141249 0.450905732275 0.568089571329} C2 6 1
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8 {} {0.406134924379 0.646331594766 0.512530846015} O3 8 1
8 {} {0.404810443125 0.65307872867 0.329735764562} O4 9 1
14 {} {0.224918646922 0.510481284577 0.555338769971} Si3 10 1
7 {} {0.205328618503 0.431750050815 0.586789589884} N1 11 1
14 {} {0.169298600986 0.427476170254 0.678656031236} Si4 12 1
14 {} {0.220932785931 0.36176083287 0.522779517222} Si5 13 1
7 {} {0.222135751971 0.374276759923 0.409222649842} N2 14 1
7 {} {0.121786475343 0.475819064917 0.671504458436} N3 15 1
1 {} {0.34882469689 0.519440664073 0.371582662215} H1 16 1
1 {} {0.324308089084 0.597011634052 0.399630028932} H2 17 1
1 {} {0.357253327393 0.619290202444 0.594868728328} H3 18 1
1 {} {0.358541375564 0.409900592871 0.519598923956} H4 19 1
1 {} {0.34920258297 0.432846064575 0.632601510548} H5 20 1
1 {} {0.397576821483 0.46190234001 0.576364609135} H6 21 1
1 {} {0.485366795046 0.572053556568 0.410399254296} H7 22 1
1 {} {0.452186708796 0.513819203575 0.350220535677} H8 23 1
1 {} {0.454545903771 0.51024111661 0.468596783751} H9 24 1
1 {} {0.431328165759 0.675769829605 0.522807079854} H10 25 1
1 {} {0.433161186314 0.66169146004 0.300832962302} H11 26 1
1 {} {0.219201298954 0.556161210632 0.633336307574} H12 27 1
1 {} {0.19945801718 0.537080300997 0.477605959131} H13 28 1
1 {} {0.156426804248 0.355771734009 0.686803292977} H14 29 1
1 {} {0.19235239176 0.451821404752 0.760539477402} H15 30 1
1 {} {0.266857846319 0.340085705892 0.547703713753} H16 31 1
1 {} {0.187798498619 0.30836384213 0.543121449142} H17 32 1
1 {} {0.248602066776 0.398177302613 0.381246125686} H18 33 1
1 {} {0.193659565158 0.384851705059 0.375204991896} H19 34 1
1 {} {0.121607086347 0.523433311762 0.695224912821} H20 35 1
1 {} {0.0991321689948 0.469841701232 0.621721966447} H21 36 1
6 {} {0.592703005035 0.322777064837 0.310237069184} C4 37 1
14 {} {0.587916981859 0.356330793811 0.427213091235} Si6 38 1
14 {} {0.576740628914 0.233695855094 0.292339483795} Si7 39 1
8 {} {0.616535920428 0.307253217472 0.495263555334} O5 40 1
8 {} {0.610569113329 0.431384031493 0.432229493915} O6 41 1
6 {} {0.528659164822 0.365072182126 0.463829680262} C5 42 1
6 {} {0.51584460806 0.223062309467 0.268731328391} C6 43 1
8 {} {0.592062296776 0.195059433544 0.386585738898} O7 44 1
8 {} {0.606452606051 0.196670249138 0.212464697166} O8 45 1
14 {} {0.654306248039 0.476202774845 0.460896041626} Si8 46 1
7 {} {0.638803913105 0.557265299359 0.4879783659} N4 47 1
14 {} {0.645172316592 0.584873180003 0.59831138265} Si9 48 1
14 {} {0.614857888285 0.61091135536 0.408807023503} Si10 49 1
7 {} {0.625961065205 0.591658574199 0.299269299404} N5 50 1
7 {} {0.698102327843 0.604712968135 0.634686875727} N6 51 1
1 {} {0.573281264225 0.354538752464 0.264288950876} H22 52 1
1 {} {0.628029254255 0.327901149749 0.290647556448} H23 53 1
1 {} {0.615002607331 0.260134567704 0.47774288056} H24 54 1
1 {} {0.509522578215 0.398062353035 0.419283122993} H25 55 1
1 {} {0.52743145614 0.386506284329 0.531362017125} H26 56 1
1 {} {0.511868712025 0.316161132585 0.466173703124} H27 57 1
1 {} {0.506536174384 0.169941705759 0.264083149934} H28 58 1
1 {} {0.506585872842 0.247217942208 0.205358342362} H29 59 1
1 {} {0.495424322343 0.245952962124 0.321483699896} H30 60 1
1 {} {0.594746843107 0.14672128614 0.384324841345} H31 61 1
1 {} {0.593270512577 0.192692498488 0.153730244329} H32 62 1
1 {} {0.676313583834 0.447427674946 0.541523972249} H33 63 1
1 {} {0.6860080521 0.47579492526 0.384215197133} H34 64 1
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1 {} {0.628920328537 0.531937569534 0.660019714224} H36 66 1
1 {} {0.565084507235 0.610120538595 0.416614779806} H37 67 1
1 {} {0.631873410774 0.679735368201 0.426981894807} H38 68 1
1 {} {0.609586484336 0.55325038193 0.269298771142} H39 69 1
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1 {} {0.71944077497 0.567490427771 0.652494956316} H41 71 1
1 {} {0.715010769064 0.643785095709 0.607468495976} H42 72 1
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