iterations/neb0_image01_iter9.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 {} {0.349256212155 0.559879798558 0.421636012232} C1 1 1
14 {} {0.330200006023 0.526847175933 0.532673756011} Si1 2 1
14 {} {0.404453211044 0.602019633381 0.417373262272} Si2 3 1
8 {} {0.333473814001 0.587127097969 0.607924356787} O1 4 1
8 {} {0.277229312721 0.504937033498 0.524728980113} O2 5 1
6 {} {0.361871114979 0.450912678767 0.568087412749} C2 6 1
6 {} {0.45357642363 0.544429867127 0.411180445461} C3 7 1
8 {} {0.406132806531 0.646359626826 0.512505962113} O3 8 1
8 {} {0.404813288145 0.653030290503 0.329697847248} O4 9 1
14 {} {0.224946705076 0.510476592219 0.555345829686} Si3 10 1
7 {} {0.205336098791 0.431764278398 0.586785853867} N1 11 1
14 {} {0.169297013612 0.427485632975 0.678647153113} Si4 12 1
14 {} {0.220938988348 0.36175510166 0.522768375915} Si5 13 1
7 {} {0.222139673868 0.374243076262 0.409229490385} N2 14 1
7 {} {0.121774773965 0.47581040805 0.671483789117} N3 15 1
1 {} {0.348823867549 0.519462856521 0.371597312964} H1 16 1
1 {} {0.32432757033 0.597027461839 0.39963332423} H2 17 1
1 {} {0.357261799486 0.619315944492 0.594880615951} H3 18 1
1 {} {0.358539174806 0.40992031977 0.519590200125} H4 19 1
1 {} {0.34919653483 0.432860920058 0.632585358699} H5 20 1
1 {} {0.397584822275 0.461904107514 0.576369504944} H6 21 1
1 {} {0.485378329373 0.57206285043 0.410387841172} H7 22 1
1 {} {0.452172545128 0.513824772428 0.350208874435} H8 23 1
1 {} {0.454548860346 0.510227383347 0.468612349223} H9 24 1
1 {} {0.431344154772 0.675768394639 0.52282448497} H10 25 1
1 {} {0.433171827718 0.661703521307 0.300845202565} H11 26 1
1 {} {0.219204033785 0.556168139219 0.633341103008} H12 27 1
1 {} {0.199466776713 0.537078664861 0.477624845138} H13 28 1
1 {} {0.156418784458 0.355756473453 0.686782285371} H14 29 1
1 {} {0.192340564722 0.451804891126 0.760533753505} H15 30 1
1 {} {0.266851755224 0.340096893642 0.547726119084} H16 31 1
1 {} {0.187801618458 0.308377765575 0.54312981799} H17 32 1
1 {} {0.248596365152 0.398166949615 0.381272921806} H18 33 1
1 {} {0.193668007207 0.384833946004 0.375227533757} H19 34 1
1 {} {0.121602395072 0.523416632037 0.69523649098} H20 35 1
1 {} {0.0991251649469 0.469835493677 0.621700987116} H21 36 1
6 {} {0.592698477227 0.322764413464 0.310242114137} C4 37 1
14 {} {0.587932330798 0.356347718049 0.427188458312} Si6 38 1
14 {} {0.576731781979 0.233709820361 0.292339729555} Si7 39 1
8 {} {0.616546124867 0.307244664634 0.495276525955} O5 40 1
8 {} {0.610556701335 0.431350849996 0.432230779802} O6 41 1
6 {} {0.528661310075 0.365054006298 0.46384288963} C5 42 1
6 {} {0.515841278943 0.223063635086 0.268713338685} C6 43 1
8 {} {0.592051688913 0.195049942284 0.38659203759} O7 44 1
8 {} {0.606459013924 0.196667534168 0.212455613804} O8 45 1
14 {} {0.65430032198 0.476237121409 0.460870392196} Si8 46 1
7 {} {0.638802083136 0.557241972834 0.487965719067} N4 47 1
14 {} {0.645224834657 0.584891925185 0.598252688013} Si9 48 1
14 {} {0.614812035774 0.610909734184 0.408958943239} Si10 49 1
7 {} {0.625907127447 0.591819251689 0.299257215199} N5 50 1
7 {} {0.698161211966 0.60469730369 0.634579208826} N6 51 1
1 {} {0.573280414109 0.354529677324 0.264293660544} H22 52 1
1 {} {0.628028753089 0.327901327343 0.290651833298} H23 53 1
1 {} {0.615000064491 0.260124865212 0.477751516652} H24 54 1
1 {} {0.50952593062 0.398045004676 0.419279190009} H25 55 1
1 {} {0.527437322407 0.386506470298 0.531379671844} H26 56 1
1 {} {0.511871864879 0.316142054657 0.466201535903} H27 57 1
1 {} {0.506525210127 0.169957572163 0.264064782171} H28 58 1
1 {} {0.5065980705 0.247225140881 0.205348367115} H29 59 1
1 {} {0.495427358542 0.245964864862 0.321453208201} H30 60 1
1 {} {0.594722468222 0.146704770205 0.384341809127} H31 61 1
1 {} {0.593264689522 0.192679685802 0.153728791461} H32 62 1
1 {} {0.676314125552 0.44741128983 0.541555777484} H33 63 1
1 {} {0.686007293268 0.475790661624 0.384250628567} H34 64 1
1 {} {0.617754261542 0.647036066312 0.604999561565} H35 65 1
1 {} {0.628912547559 0.531939156918 0.660096587857} H36 66 1
1 {} {0.565131225845 0.610092778244 0.416598610782} H37 67 1
1 {} {0.631877147914 0.679756427461 0.427022263793} H38 68 1
1 {} {0.609582552348 0.553125892578 0.269240428096} H39 69 1
1 {} {0.657687728614 0.595192884499 0.274946512613} H40 70 1
1 {} {0.719379552283 0.567577693846 0.65244303319} H41 71 1
1 {} {0.714952665442 0.643679460708 0.607493427117} H42 72 1
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