iterations/neb0_image08_iter15.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_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.362188738188 0.525698597275 0.42356434055} C1 1 1
14 {} {0.343305199875 0.492566469446 0.534610362623} Si1 2 1
14 {} {0.416246529738 0.570451058143 0.41859291705} Si2 3 1
8 {} {0.346612057129 0.55281635786 0.609842259519} O1 4 1
8 {} {0.29041642481 0.470472592405 0.526644643176} O2 5 1
6 {} {0.374978712687 0.416634603792 0.569973084631} C2 6 1
6 {} {0.465121433503 0.514466153685 0.411504198848} C3 7 1
8 {} {0.418998188998 0.612502401514 0.515137963773} O3 8 1
8 {} {0.417246363141 0.620175807186 0.330117738543} O4 9 1
14 {} {0.238062153742 0.476176893815 0.557243552455} Si3 10 1
7 {} {0.218449222447 0.397456907776 0.588705046501} N1 11 1
14 {} {0.182413218952 0.393160372103 0.680570339261} Si4 12 1
14 {} {0.234050695403 0.327433290385 0.52469351928} Si5 13 1
7 {} {0.235271377043 0.33976847767 0.411071309361} N2 14 1
7 {} {0.134874625068 0.441456834996 0.673412079406} N3 15 1
1 {} {0.361977188184 0.485258353735 0.373504339765} H1 16 1
1 {} {0.337289314729 0.562653063419 0.401526658165} H2 17 1
1 {} {0.370367140053 0.585005072176 0.59678803885} H3 18 1
1 {} {0.3716446078 0.375609070321 0.521515415784} H4 19 1
1 {} {0.362317407081 0.398549683178 0.634487764576} H5 20 1
1 {} {0.410694568978 0.427586645591 0.578291579712} H6 21 1
1 {} {0.497776816296 0.538471330087 0.412619513593} H7 22 1
1 {} {0.46383828092 0.48228228782 0.35297733787} H8 23 1
1 {} {0.4643739551 0.482312395765 0.470002003174} H9 24 1
1 {} {0.444463163643 0.641527242071 0.524648741391} H10 25 1
1 {} {0.446231928164 0.627533148952 0.30303746037} H11 26 1
1 {} {0.232322224789 0.52185867428 0.635227986298} H12 27 1
1 {} {0.212588116202 0.502773494356 0.479528668726} H13 28 1
1 {} {0.169543879476 0.321475887985 0.688702531294} H14 29 1
1 {} {0.205461848327 0.417524154323 0.762437334606} H15 30 1
1 {} {0.279967815409 0.305798138374 0.549630450675} H16 31 1
1 {} {0.200909915725 0.27407692167 0.545039201589} H17 32 1
1 {} {0.26169068463 0.363860516055 0.383199446859} H18 33 1
1 {} {0.206782104806 0.350532134379 0.377144101478} H19 34 1
1 {} {0.13471171369 0.489073881226 0.697123681947} H20 35 1
1 {} {0.112223409739 0.435531803001 0.623587372013} H21 36 1
6 {} {0.579640325387 0.357073149755 0.308246959407} C4 37 1
14 {} {0.576132695322 0.389410747789 0.425619989329} Si6 38 1
14 {} {0.563645781297 0.268018588702 0.29041953667} Si7 39 1
8 {} {0.604680069691 0.341027795292 0.493738771835} O5 40 1
8 {} {0.597240166338 0.465531657854 0.430278638983} O6 41 1
6 {} {0.517847501973 0.394244016227 0.464511746057} C5 42 1
6 {} {0.502740095025 0.257399172422 0.266794134001} C6 43 1
8 {} {0.57893728838 0.229347009977 0.384660403049} O7 44 1
8 {} {0.593342788923 0.231092069005 0.210501630342} O8 45 1
14 {} {0.641057686278 0.510338545869 0.458928226064} Si8 46 1
7 {} {0.625651660676 0.591423593022 0.486255567254} N4 47 1
14 {} {0.632105103856 0.61922053241 0.596341649282} Si9 48 1
14 {} {0.601747293819 0.645230190056 0.406916707629} Si10 49 1
7 {} {0.612862865881 0.6259279194 0.297336863695} N5 50 1
7 {} {0.684949162494 0.63908703409 0.63286311418} N6 51 1
1 {} {0.560178020949 0.388862410011 0.262362829365} H22 52 1
1 {} {0.614917164882 0.362238594636 0.288631233692} H23 53 1
1 {} {0.601994607682 0.294149318003 0.475996955985} H24 54 1
1 {} {0.50040566112 0.42499005854 0.416053761154} H25 55 1
1 {} {0.514861951988 0.419722425157 0.528716322174} H26 56 1
1 {} {0.499117480503 0.34725815957 0.465489319396} H27 57 1
1 {} {0.493409006424 0.204288016675 0.262169398272} H28 58 1
1 {} {0.493471806343 0.281528827796 0.203407120035} H29 59 1
1 {} {0.482325185802 0.280243249047 0.319591760477} H30 60 1
1 {} {0.581620920431 0.180984585051 0.382436970308} H31 61 1
1 {} {0.580136665284 0.226987513785 0.151782890122} H32 62 1
1 {} {0.663201366634 0.481716565695 0.539712958138} H33 63 1
1 {} {0.672881449722 0.510109563497 0.382339799333} H34 64 1
1 {} {0.604633871353 0.681301117236 0.60299040008} H35 65 1
1 {} {0.615797065842 0.566296927588 0.658007729029} H36 66 1
1 {} {0.551957831536 0.644370322408 0.414619384998} H37 67 1
1 {} {0.618714148797 0.714130856201 0.425082248387} H38 68 1
1 {} {0.59653706562 0.587556588315 0.267339093939} H39 69 1
1 {} {0.644413863167 0.629518052749 0.273149967497} H40 70 1
1 {} {0.706337325078 0.601776096922 0.650595235945} H41 71 1
1 {} {0.701927999862 0.678194318899 0.605493990411} H42 72 1
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