iterations/neb0_image01_iter11.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
@end
@data
6 {} {0.349253165616 0.559867096335 0.421640708593} C1 1 1
14 {} {0.330168807698 0.526819630663 0.532670388519} Si1 2 1
14 {} {0.404444382193 0.602019356171 0.417355744404} Si2 3 1
8 {} {0.333488765469 0.587129244216 0.607915082258} O1 4 1
8 {} {0.277251173389 0.504952933685 0.524710027188} O2 5 1
6 {} {0.361873505701 0.450905266641 0.568090915433} C2 6 1
6 {} {0.453579337477 0.544433226933 0.411182779828} C3 7 1
8 {} {0.406148358278 0.646337320469 0.512508468026} O3 8 1
8 {} {0.404817319879 0.653083889297 0.329707430715} O4 9 1
14 {} {0.224910179969 0.510463046378 0.555355642604} Si3 10 1
7 {} {0.205337061743 0.431746076255 0.586788597074} N1 11 1
14 {} {0.169298534366 0.427494671422 0.678645896936} Si4 12 1
14 {} {0.220936139982 0.361750887343 0.522748717041} Si5 13 1
7 {} {0.222142675741 0.37427575745 0.409228473905} N2 14 1
7 {} {0.121778792536 0.475827291898 0.671514282502} N3 15 1
1 {} {0.348826143293 0.519456088667 0.371596708155} H1 16 1
1 {} {0.324320266236 0.597011734433 0.399635091932} H2 17 1
1 {} {0.357251461341 0.61930026264 0.594881821664} H3 18 1
1 {} {0.358538741718 0.4099114184 0.51959685424} H4 19 1
1 {} {0.349200111396 0.432852934999 0.632592793504} H5 20 1
1 {} {0.397586137814 0.461901599642 0.576369832845} H6 21 1
1 {} {0.485379657982 0.572058026414 0.410391175552} H7 22 1
1 {} {0.452182034959 0.513823470624 0.350219608048} H8 23 1
1 {} {0.454550316765 0.510222384793 0.468613566675} H9 24 1
1 {} {0.431328718612 0.675768556696 0.522819377546} H10 25 1
1 {} {0.433161239429 0.661694319796 0.300841659041} H11 26 1
1 {} {0.219208444559 0.556166107853 0.633330752744} H12 27 1
1 {} {0.199469706356 0.537082852121 0.477612849412} H13 28 1
1 {} {0.156426885779 0.355762307616 0.686793601552} H14 29 1
1 {} {0.192347338035 0.451814834785 0.760539198081} H15 30 1
1 {} {0.266852510577 0.340091602007 0.547711321545} H16 31 1
1 {} {0.187801995037 0.308375279025 0.543130861819} H17 32 1
1 {} {0.248599133725 0.398170033133 0.381263386295} H18 33 1
1 {} {0.193659582323 0.384842641181 0.375219186493} H19 34 1
1 {} {0.121607915576 0.52342878984 0.695232511816} H20 35 1
1 {} {0.09912736645 0.469832103085 0.621702539776} H21 36 1
6 {} {0.592701933219 0.322773887675 0.310237818137} C4 37 1
14 {} {0.587928555007 0.356326407569 0.427194555295} Si6 38 1
14 {} {0.576732127338 0.233708943595 0.292339294018} Si7 39 1
8 {} {0.61654173546 0.307258167008 0.495277004828} O5 40 1
8 {} {0.610567419554 0.431378996204 0.432226517292} O6 41 1
6 {} {0.52866078207 0.365069399515 0.463831834808} C5 42 1
6 {} {0.515842235627 0.223064068738 0.268723684194} C6 43 1
8 {} {0.59206079687 0.195058491864 0.386582687036} O7 44 1
8 {} {0.60645654616 0.196670060009 0.212477270817} O8 45 1
14 {} {0.654300369928 0.476215927343 0.460877524396} Si8 46 1
7 {} {0.638793996042 0.557233885887 0.487931224022} N4 47 1
14 {} {0.645311391255 0.584926304102 0.598312085499} Si9 48 1
14 {} {0.614785418279 0.610915592723 0.409147685178} Si10 49 1
7 {} {0.625987963406 0.591697849855 0.299196257148} N5 50 1
7 {} {0.698058984649 0.604677720243 0.634653925} N6 51 1
1 {} {0.573280504309 0.354532107234 0.264290550297} H22 52 1
1 {} {0.628029214301 0.32789971583 0.290650573882} H23 53 1
1 {} {0.615001790825 0.260122497662 0.477741569413} H24 54 1
1 {} {0.509518589034 0.398060284361 0.419275378025} H25 55 1
1 {} {0.527432270461 0.386506114011 0.53137658693} H26 56 1
1 {} {0.511869590204 0.31615314329 0.466183423283} H27 57 1
1 {} {0.506533281901 0.169950744244 0.264076886251} H28 58 1
1 {} {0.506590488834 0.247216474378 0.205358143287} H29 59 1
1 {} {0.495428142328 0.245953055338 0.321470398231} H30 60 1
1 {} {0.59473962286 0.146710878027 0.384332133184} H31 61 1
1 {} {0.593266701824 0.192686558557 0.153719325183} H32 62 1
1 {} {0.676315400115 0.447421965427 0.541544620055} H33 63 1
1 {} {0.686000471302 0.475795332281 0.384236439744} H34 64 1
1 {} {0.617749833369 0.647004696486 0.60495758874} H35 65 1
1 {} {0.628910724882 0.531944823019 0.660005206607} H36 66 1
1 {} {0.56510072635 0.610117209468 0.416579293526} H37 67 1
1 {} {0.631884711304 0.679757493636 0.426955026203} H38 68 1
1 {} {0.609578555433 0.553194336705 0.269245576345} H39 69 1
1 {} {0.657619988529 0.595180935849 0.274985987327} H40 70 1
1 {} {0.719412392705 0.567526458621 0.652465205822} H41 71 1
1 {} {0.714984799821 0.643742737372 0.607469169125} H42 72 1
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