./iterations/neb0_image01_iter29.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_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 {} {0.358166073965 0.546632749139 0.413975316719} C1 1 1
14 {} {0.334780761092 0.520111599926 0.524743515027} Si1 2 1
14 {} {0.419836071626 0.557448248355 0.409692586949} Si2 3 1
8 {} {0.347959720718 0.576861360064 0.600685808417} O1 4 1
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6 {} {0.451030432653 0.477205130534 0.395076412381} C3 7 1
8 {} {0.432802722721 0.592176805325 0.508719465251} O3 8 1
8 {} {0.433028501724 0.608900349148 0.326752078794} O4 9 1
14 {} {0.229369204374 0.522863851737 0.558927876816} Si3 10 1
7 {} {0.20974624417 0.444706070073 0.593113557825} N1 11 1
14 {} {0.187318163218 0.436441088037 0.700605227198} Si4 12 1
14 {} {0.210303925521 0.377005726627 0.518055117018} Si5 13 1
7 {} {0.204224242668 0.398183248974 0.407618547355} N2 14 1
7 {} {0.136896059109 0.47551722714 0.720746628564} N3 15 1
1 {} {0.348124954389 0.510849396808 0.361729279132} H1 16 1
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1 {} {0.441460917403 0.452869812915 0.33209163754} H8 23 1
1 {} {0.444845234252 0.441673789813 0.449620326416} H9 24 1
1 {} {0.463433474658 0.607146154019 0.514912881196} H10 25 1
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1 {} {0.253563264664 0.340452745128 0.523887430344} H16 31 1
1 {} {0.172702306805 0.33242227105 0.544704634025} H17 32 1
1 {} {0.231233994637 0.412852367261 0.371594590141} H18 33 1
1 {} {0.17624236565 0.421616369041 0.38550100684} H19 34 1
1 {} {0.136095992703 0.525122290737 0.735774348975} H20 35 1
1 {} {0.10884699334 0.461697345807 0.687314584227} H21 36 1
6 {} {0.632675911916 0.645995279917 0.348983278191} C4 37 1
14 {} {0.589543597282 0.583498687526 0.38636782737} Si6 38 1
14 {} {0.627027230402 0.734468519045 0.385499667442} Si7 39 1
8 {} {0.539235136424 0.61888549923 0.380642180685} O5 40 1
8 {} {0.590386663774 0.518922836645 0.319271701816} O6 41 1
6 {} {0.600606572524 0.551600603101 0.501291229915} C5 42 1
6 {} {0.645220444234 0.751509238451 0.50265995312} C6 43 1
8 {} {0.572198986235 0.749304533501 0.373980546001} O7 44 1
8 {} {0.654807472306 0.783832880648 0.315594845878} O8 45 1
14 {} {0.584016600057 0.458633124394 0.246277209236} Si8 46 1
7 {} {0.596511654447 0.380539614608 0.289209029831} N4 47 1
14 {} {0.552950655028 0.324262614617 0.312802727203} Si9 48 1
14 {} {0.651109550005 0.355220290751 0.314542911932} Si10 49 1
7 {} {0.692143035087 0.401416383159 0.263451832056} N5 50 1
7 {} {0.528985368402 0.281120352001 0.225836339276} N6 51 1
1 {} {0.666076564544 0.627609347106 0.367689306014} H22 52 1
1 {} {0.631905044109 0.64679497412 0.275333117272} H23 53 1
1 {} {0.54133426484 0.667954421197 0.375904320271} H24 54 1
1 {} {0.632719152889 0.525014570239 0.504092147827} H25 55 1
1 {} {0.574495212149 0.516071688225 0.521615149199} H26 56 1
1 {} {0.601495208827 0.592155969324 0.550844975513} H27 57 1
1 {} {0.639962627616 0.804290300134 0.520833140996} H28 58 1
1 {} {0.680814187293 0.740097775087 0.512024502356} H29 59 1
1 {} {0.626224621382 0.720950679169 0.550391566446} H30 60 1
1 {} {0.561803008711 0.795170749123 0.371050661722} H31 61 1
1 {} {0.67273834393 0.819506201386 0.340641263786} H32 62 1
1 {} {0.536340768618 0.456648963689 0.217565681477} H33 63 1
1 {} {0.61318707016 0.474710306755 0.168696022431} H34 64 1
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1 {} {0.660331105737 0.36132186496 0.412091978305} H37 67 1
1 {} {0.654888016237 0.283794397242 0.286471892682} H38 68 1
1 {} {0.705384776533 0.44221990839 0.293717648053} H39 69 1
1 {} {0.695085087002 0.404353541366 0.196093227072} H40 70 1
1 {} {0.506760130767 0.304335677108 0.184936861202} H41 71 1
1 {} {0.546401406972 0.245625220816 0.191920932454} H42 72 1
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