iterations/neb0_image08_iter25.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
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@data
6 {} {0.36213169366 0.52587399449 0.423447075665} C1 1 1
14 {} {0.343479228741 0.492127236172 0.534757435166} Si1 2 1
14 {} {0.415895964356 0.572217376947 0.417436633812} Si2 3 1
8 {} {0.346796486583 0.552273038996 0.609975624694} O1 4 1
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6 {} {0.375188898303 0.416098677044 0.569968471762} C2 6 1
6 {} {0.464649830793 0.516152926608 0.4112063917} C3 7 1
8 {} {0.418454725321 0.613486098863 0.515241104101} O3 8 1
8 {} {0.41629582801 0.622607316996 0.328739920124} O4 9 1
14 {} {0.238299075495 0.47556518092 0.557214222706} Si3 10 1
7 {} {0.218633103326 0.396902599943 0.588704010032} N1 11 1
14 {} {0.182628481454 0.39265325874 0.680619137654} Si4 12 1
14 {} {0.234233609208 0.326906141948 0.524680492576} Si5 13 1
7 {} {0.235466090155 0.339173247643 0.411051016335} N2 14 1
7 {} {0.135082261984 0.440909560178 0.673477468755} N3 15 1
1 {} {0.362356164804 0.485179269276 0.373537532448} H1 16 1
1 {} {0.336492656116 0.562019313261 0.401314359872} H2 17 1
1 {} {0.370560360315 0.584486755893 0.596891874175} H3 18 1
1 {} {0.371843578388 0.375059889583 0.52155851451} H4 19 1
1 {} {0.362519574694 0.398052398561 0.634481173857} H5 20 1
1 {} {0.410903756982 0.427042428013 0.578290599698} H6 21 1
1 {} {0.497818019105 0.540456537912 0.412463579567} H7 22 1
1 {} {0.462547524769 0.483448363396 0.351978570235} H8 23 1
1 {} {0.462148282976 0.484821880415 0.471283143616} H9 24 1
1 {} {0.444583306259 0.641225756094 0.524864514606} H10 25 1
1 {} {0.445903086748 0.627317847708 0.303393600135} H11 26 1
1 {} {0.232539376253 0.521316874267 0.635197711606} H12 27 1
1 {} {0.212801146903 0.502248620192 0.479506827521} H13 28 1
1 {} {0.169766052836 0.320929785982 0.688806399377} H14 29 1
1 {} {0.205688413812 0.417058811615 0.762466746546} H15 30 1
1 {} {0.280177693315 0.305257251529 0.549626231237} H16 31 1
1 {} {0.201091542901 0.273518272886 0.54507729406} H17 32 1
1 {} {0.261871424767 0.363327269466 0.383234787505} H18 33 1
1 {} {0.206982360675 0.350016189877 0.377186095877} H19 34 1
1 {} {0.134919246204 0.48853636397 0.697117754058} H20 35 1
1 {} {0.112439911501 0.434998360815 0.623658171466} H21 36 1
6 {} {0.579822450463 0.357345471886 0.308123648592} C4 37 1
14 {} {0.576840223469 0.388379220008 0.427083755774} Si6 38 1
14 {} {0.563486062015 0.26846023141 0.290223478297} Si7 39 1
8 {} {0.607219782858 0.340381096376 0.493561594103} O5 40 1
8 {} {0.596980552366 0.465432336883 0.430433529003} O6 41 1
6 {} {0.518145044414 0.3919083422 0.465031772008} C5 42 1
6 {} {0.502543852109 0.257929900231 0.266801419114} C6 43 1
8 {} {0.578744654063 0.229888246732 0.384577497415} O7 44 1
8 {} {0.593175413844 0.231655056692 0.210334052461} O8 45 1
14 {} {0.640921629745 0.510891808569 0.459104450815} Si8 46 1
7 {} {0.625293413707 0.591959847166 0.485799795413} N4 47 1
14 {} {0.632050331525 0.619853578572 0.596490344138} Si9 48 1
14 {} {0.601524664582 0.64571260289 0.40722389231} Si10 49 1
7 {} {0.61268126372 0.62623773464 0.297678107038} N5 50 1
7 {} {0.684844117226 0.63972960702 0.633034111654} N6 51 1
1 {} {0.560050501037 0.389502115458 0.262964670802} H22 52 1
1 {} {0.615002787111 0.362648751036 0.287697308064} H23 53 1
1 {} {0.602323045324 0.293628548951 0.476649578399} H24 54 1
1 {} {0.501887038288 0.42189136583 0.41332397296} H25 55 1
1 {} {0.515240798729 0.418381389977 0.528920105192} H26 56 1
1 {} {0.500318596278 0.343599839238 0.468267895002} H27 57 1
1 {} {0.493262329879 0.204817177141 0.262184863111} H28 58 1
1 {} {0.493238561634 0.282040574523 0.203414712105} H29 59 1
1 {} {0.482144259589 0.280732125118 0.319632082754} H30 60 1
1 {} {0.581481865518 0.181549982259 0.382403016085} H31 61 1
1 {} {0.579928380168 0.227516943607 0.151690668309} H32 62 1
1 {} {0.662920832534 0.482198973997 0.539539289411} H33 63 1
1 {} {0.672532873715 0.510557638849 0.382374809324} H34 64 1
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1 {} {0.615564104063 0.566708670633 0.657886848001} H36 66 1
1 {} {0.551738100629 0.644915691792 0.414517478459} H37 67 1
1 {} {0.618469167927 0.7145554435 0.424905197583} H38 68 1
1 {} {0.596188452813 0.587994227235 0.267069267697} H39 69 1
1 {} {0.644322709178 0.630109392264 0.273065483236} H40 70 1
1 {} {0.706072125604 0.602508794761 0.650474360214} H41 71 1
1 {} {0.701711786503 0.678601158391 0.605689541589} H42 72 1
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