iterations/neb0_image07_iter28.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_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.360301001477 0.530841913864 0.423208879334} C1 1 1
14 {} {0.341485697349 0.497444331092 0.53444258131} Si1 2 1
14 {} {0.414633287092 0.575541645288 0.417948621052} Si2 3 1
8 {} {0.344781789522 0.557677239723 0.609642841813} O1 4 1
8 {} {0.288578121203 0.475394617949 0.526416345802} O2 5 1
6 {} {0.373145635251 0.421393921658 0.569735444109} C2 6 1
6 {} {0.463439793513 0.519091208382 0.411749203311} C3 7 1
8 {} {0.416793750688 0.618139343504 0.514561833303} O3 8 1
8 {} {0.414960485843 0.625904116511 0.329533670467} O4 9 1
14 {} {0.236264784345 0.480923481401 0.556948667529} Si3 10 1
7 {} {0.21662653816 0.402237822148 0.588392741604} N1 11 1
14 {} {0.180631042214 0.397972881364 0.680275140623} Si4 12 1
14 {} {0.232199763199 0.332253033011 0.524391025941} Si5 13 1
7 {} {0.233417830269 0.344715467145 0.410823942323} N2 14 1
7 {} {0.13311246798 0.446294065731 0.673134297813} N3 15 1
1 {} {0.360272319624 0.49024876267 0.373274790665} H1 16 1
1 {} {0.334937458644 0.567333394451 0.401147056463} H2 17 1
1 {} {0.368575537138 0.589819747915 0.596568205903} H3 18 1
1 {} {0.369812769283 0.380370285719 0.521279391046} H4 19 1
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1 {} {0.49611550634 0.544544571766 0.412120827061} H7 22 1
1 {} {0.461665380445 0.487068081565 0.351853755807} H8 23 1
1 {} {0.462388349775 0.486521163865 0.470768989297} H9 24 1
1 {} {0.442597935727 0.646456355797 0.524551917698} H10 25 1
1 {} {0.444133969536 0.632536089446 0.302869402094} H11 26 1
1 {} {0.230486165284 0.526606294868 0.634961928636} H12 27 1
1 {} {0.210755959944 0.507531877986 0.479227443522} H13 28 1
1 {} {0.16772910823 0.326246167716 0.688493165116} H14 29 1
1 {} {0.20367126897 0.422333792769 0.762156309045} H15 30 1
1 {} {0.278137779065 0.310539751899 0.54929669009} H16 31 1
1 {} {0.199077138458 0.278813546978 0.544756183667} H17 32 1
1 {} {0.25987194462 0.368644070487 0.382869716851} H18 33 1
1 {} {0.204946076824 0.355357643073 0.376822637235} H19 34 1
1 {} {0.132918693417 0.493904057526 0.696830984659} H20 35 1
1 {} {0.110427544207 0.440314567919 0.623408341013} H21 36 1
6 {} {0.581700852974 0.35211431694 0.308504286231} C4 37 1
14 {} {0.577944095875 0.384124501238 0.426626987959} Si6 38 1
14 {} {0.565464811471 0.263183159148 0.290529996228} Si7 39 1
8 {} {0.607665621496 0.335818466133 0.493736450277} O5 40 1
8 {} {0.599125740159 0.460440276179 0.43062864991} O6 41 1
6 {} {0.519103501154 0.389551256154 0.463937331195} C5 42 1
6 {} {0.504558095959 0.252635598576 0.267053015314} C6 43 1
8 {} {0.580562737342 0.224598446747 0.384968148125} O7 44 1
8 {} {0.595131762009 0.226153458434 0.210698311044} O8 45 1
14 {} {0.642939662698 0.505599322501 0.459243436451} Si8 46 1
7 {} {0.627340598655 0.586678347158 0.486128987003} N4 47 1
14 {} {0.634095969721 0.614526878667 0.596825190349} Si9 48 1
14 {} {0.603530426844 0.640413774486 0.407547673595} Si10 49 1
7 {} {0.614716988491 0.620960530667 0.297829941227} N5 50 1
7 {} {0.686824973203 0.634357847212 0.633313025071} N6 51 1
1 {} {0.562074289663 0.384144171041 0.263081942587} H22 52 1
1 {} {0.616935871023 0.357364149242 0.288414955615} H23 53 1
1 {} {0.604127602919 0.288807027338 0.476625118027} H24 54 1
1 {} {0.501650256016 0.420709375701 0.41524067246} H25 55 1
1 {} {0.516806095077 0.414183895131 0.529431184217} H26 56 1
1 {} {0.50179370302 0.341117420264 0.466991274008} H27 57 1
1 {} {0.495316669397 0.199493991657 0.262478344562} H28 58 1
1 {} {0.4952448985 0.276733776062 0.203685650167} H29 59 1
1 {} {0.484160598821 0.275426312734 0.319911006311} H30 60 1
1 {} {0.583490922053 0.176297425102 0.382672511673} H31 61 1
1 {} {0.581955481939 0.222189150975 0.151961032205} H32 62 1
1 {} {0.664983028464 0.476922401728 0.539793834957} H33 63 1
1 {} {0.674616037498 0.50529449575 0.382575772496} H34 64 1
1 {} {0.606449661256 0.676499596852 0.603074950093} H35 65 1
1 {} {0.617579803663 0.561369878612 0.658209477298} H36 66 1
1 {} {0.55377293267 0.639642439982 0.414816272072} H37 67 1
1 {} {0.620496440529 0.709241533574 0.425198355349} H38 68 1
1 {} {0.598211912612 0.582716076051 0.267427828582} H39 69 1
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1 {} {0.708134357393 0.597139672308 0.65079555837} H41 71 1
1 {} {0.703738543917 0.673283514245 0.606003565146} H42 72 1
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