iterations/neb0_image01_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_image01
@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 {} {0.349264350615 0.559844158291 0.421597870879} C1 1 1
14 {} {0.330181509383 0.526798297401 0.532659165544} Si1 2 1
14 {} {0.404460283537 0.602007905355 0.417377595381} Si2 3 1
8 {} {0.333489798123 0.587096755506 0.607934547558} O1 4 1
8 {} {0.277236654939 0.504958143655 0.524678310937} O2 5 1
6 {} {0.361854472047 0.450869706099 0.568101028426} C2 6 1
6 {} {0.45358046548 0.544426858107 0.411142378343} C3 7 1
8 {} {0.40615216802 0.646268654663 0.512598674573} O3 8 1
8 {} {0.404827875359 0.653195721537 0.329828222998} O4 9 1
14 {} {0.224914987147 0.510451328765 0.555300875775} Si3 10 1
7 {} {0.205319511334 0.431748585381 0.586785890614} N1 11 1
14 {} {0.169310337673 0.427504687887 0.67868421102} Si4 12 1
14 {} {0.220922491774 0.36177025023 0.522752663956} Si5 13 1
7 {} {0.222136146232 0.374364140963 0.409222780567} N2 14 1
7 {} {0.121811061518 0.475855552462 0.671569089611} N3 15 1
1 {} {0.348827247902 0.519406362738 0.371575583841} H1 16 1
1 {} {0.324283689887 0.596946065064 0.399636228391} H2 17 1
1 {} {0.35724028643 0.619238270011 0.594840717021} H3 18 1
1 {} {0.358544763232 0.409861567861 0.519629523889} H4 19 1
1 {} {0.34921741952 0.432814442193 0.632628238986} H5 20 1
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1 {} {0.485375530252 0.572058150403 0.410423406768} H7 22 1
1 {} {0.452219352392 0.513790971673 0.350210565089} H8 23 1
1 {} {0.454536903314 0.510257350141 0.46858945208} H9 24 1
1 {} {0.431287812137 0.675780012291 0.522774284352} H10 25 1
1 {} {0.433122609065 0.661662491718 0.300807197905} H11 26 1
1 {} {0.219194577259 0.556147068563 0.633317378161} H12 27 1
1 {} {0.199439332715 0.537084229472 0.477558587484} H13 28 1
1 {} {0.156441512724 0.355779882247 0.68686198273} H14 29 1
1 {} {0.192377879191 0.451855327242 0.760544437373} H15 30 1
1 {} {0.266860968349 0.340062499407 0.547640723359} H16 31 1
1 {} {0.187795937332 0.308337893435 0.543097472934} H17 32 1
1 {} {0.248596306321 0.398189660891 0.381201633276} H18 33 1
1 {} {0.193647133109 0.384897693819 0.375158274321} H19 34 1
1 {} {0.121625448592 0.523460628395 0.695196950869} H20 35 1
1 {} {0.0991460844655 0.469850940652 0.621765523362} H21 36 1
6 {} {0.592701291119 0.322793295611 0.310235647434} C4 37 1
14 {} {0.587911966173 0.356359179474 0.42719885376} Si6 38 1
14 {} {0.576741852016 0.233715535706 0.292344103847} Si7 39 1
8 {} {0.616517418178 0.307290128225 0.495272537661} O5 40 1
8 {} {0.610564412915 0.431385930094 0.432225011051} O6 41 1
6 {} {0.528645956238 0.365107853823 0.463791756888} C5 42 1
6 {} {0.515841722059 0.223045114118 0.268772106974} C6 43 1
8 {} {0.59209233739 0.19509074196 0.386584267246} O7 44 1
8 {} {0.606457554911 0.196664762888 0.212499072694} O8 45 1
14 {} {0.654314027022 0.476226066495 0.460874359949} Si8 46 1
7 {} {0.638798534459 0.557275064966 0.48787514173} N4 47 1
14 {} {0.645296575684 0.584932036512 0.598373051324} Si9 48 1
14 {} {0.614783836723 0.610911097834 0.409060533774} Si10 49 1
7 {} {0.626050291204 0.591481447419 0.29938771269} N5 50 1
7 {} {0.69806964765 0.604715146367 0.634868919809} N6 51 1
1 {} {0.57328601589 0.354555808912 0.264281346132} H22 52 1
1 {} {0.628035872927 0.32790600431 0.290639584544} H23 53 1
1 {} {0.615008606074 0.260128788044 0.477710497567} H24 54 1
1 {} {0.509513191733 0.398114186613 0.419279815645} H25 55 1
1 {} {0.527415667533 0.38651564445 0.531350807418} H26 56 1
1 {} {0.511857629145 0.316201526082 0.466104562568} H27 57 1
1 {} {0.506565690625 0.169921933481 0.264131852197} H28 58 1
1 {} {0.506560539794 0.247191159652 0.205407919072} H29 59 1
1 {} {0.495424993902 0.245914232689 0.321543374333} H30 60 1
1 {} {0.594811042059 0.146739685471 0.384287000317} H31 61 1
1 {} {0.593276939156 0.192721638827 0.153695645385} H32 62 1
1 {} {0.676330843809 0.447438869082 0.541512667702} H33 63 1
1 {} {0.68600019012 0.475803407513 0.384167613454} H34 64 1
1 {} {0.617756396314 0.646975583949 0.604847116331} H35 65 1
1 {} {0.628900667813 0.531842339989 0.659934287544} H36 66 1
1 {} {0.565085040852 0.610189476264 0.416602512322} H37 67 1
1 {} {0.631882383544 0.679710340079 0.426842874424} H38 68 1
1 {} {0.60946077777 0.553250416513 0.269174379947} H39 69 1
1 {} {0.657573711894 0.595170807171 0.275099062403} H40 70 1
1 {} {0.71945278261 0.567512148946 0.652494598915} H41 71 1
1 {} {0.715037984835 0.643786584596 0.607569965323} H42 72 1
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