iterations/neb0_image02_iter5.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_image02
@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 {} {0.351114106162 0.555093908617 0.421889198973} C1 1 1
14 {} {0.332022861987 0.522068855136 0.532962098134} Si1 2 1
14 {} {0.406320338786 0.597203734221 0.417718250134} Si2 3 1
8 {} {0.335319660669 0.582346401369 0.608209539615} O1 4 1
8 {} {0.279166818559 0.500092335799 0.525000643818} O2 5 1
6 {} {0.363709194642 0.446107294799 0.56834539111} C2 6 1
6 {} {0.455426561488 0.539603774373 0.41142737135} C3 7 1
8 {} {0.407952070096 0.641624345573 0.512789336307} O3 8 1
8 {} {0.406669183682 0.648099662603 0.329917538782} O4 9 1
14 {} {0.226796703973 0.505663069186 0.555635840009} Si3 10 1
7 {} {0.207174688334 0.426992282581 0.587051222377} N1 11 1
14 {} {0.171131569521 0.422665194566 0.67888274137} Si4 12 1
14 {} {0.222771796595 0.356987888326 0.523066008602} Si5 13 1
7 {} {0.223992242971 0.369322853074 0.409494536383} N2 14 1
7 {} {0.123622784137 0.470963316027 0.671733426882} N3 15 1
1 {} {0.350657352215 0.514652120404 0.371859686507} H1 16 1
1 {} {0.326175306117 0.592246639773 0.399893080656} H2 17 1
1 {} {0.359097030435 0.614489133704 0.595155962592} H3 18 1
1 {} {0.360380826553 0.405115845712 0.519845206151} H4 19 1
1 {} {0.351028796566 0.428056541362 0.632845160986} H5 20 1
1 {} {0.399417779371 0.457092108478 0.576634467842} H6 21 1
1 {} {0.487199551641 0.56725137954 0.410657184483} H7 22 1
1 {} {0.45399227167 0.509012079414 0.350457337274} H8 23 1
1 {} {0.456383505648 0.505437730158 0.468865417447} H9 24 1
1 {} {0.433197473317 0.670932511262 0.523087778056} H10 25 1
1 {} {0.435011385276 0.656898751346 0.301139688593} H11 26 1
1 {} {0.221034110975 0.551355968745 0.633625797244} H12 27 1
1 {} {0.201298042397 0.532258027597 0.477911570287} H13 28 1
1 {} {0.158245389268 0.350933144289 0.687035914296} H14 29 1
1 {} {0.194171202232 0.44697678264 0.760802431112} H15 30 1
1 {} {0.268699978431 0.335283267749 0.548018262147} H16 31 1
1 {} {0.189640719974 0.303557876024 0.543393652839} H17 32 1
1 {} {0.250422273866 0.393341808321 0.38155995693} H18 33 1
1 {} {0.195518297667 0.380009343554 0.375498706902} H19 34 1
1 {} {0.123432359377 0.518554432291 0.695494211653} H20 35 1
1 {} {0.100954239717 0.465029330448 0.621952665802} H21 36 1
6 {} {0.590857564266 0.327587560119 0.309987225815} C4 37 1
14 {} {0.586071747109 0.361089439244 0.426956096716} Si6 38 1
14 {} {0.574905061859 0.238504142564 0.292045935545} Si7 39 1
8 {} {0.614703973252 0.31206709533 0.494984874255} O5 40 1
8 {} {0.608732576267 0.436193343034 0.431970626558} O6 41 1
6 {} {0.526829980044 0.3698538564 0.463598251668} C5 42 1
6 {} {0.514008106578 0.227883406269 0.268423277013} C6 43 1
8 {} {0.590182115602 0.199852365403 0.386337036103} O7 44 1
8 {} {0.604626773053 0.201513285315 0.21218431571} O8 45 1
14 {} {0.652465105914 0.481001582456 0.460693987878} Si8 46 1
7 {} {0.63692004639 0.562095701701 0.487457378673} N4 47 1
14 {} {0.64338421157 0.589750981207 0.598165361684} Si9 48 1
14 {} {0.613013376272 0.615776481261 0.408664045643} Si10 49 1
7 {} {0.624105559599 0.596661163259 0.298592841257} N5 50 1
7 {} {0.696183408534 0.609466485827 0.634187423878} N6 51 1
1 {} {0.57143804298 0.359345385081 0.26402614521} H22 52 1
1 {} {0.626184587683 0.332719111492 0.290386338933} H23 53 1
1 {} {0.613155493643 0.264937334706 0.477496293356} H24 54 1
1 {} {0.507703979932 0.402824459241 0.41902688244} H25 55 1
1 {} {0.525605964792 0.391321984211 0.53110623964} H26 56 1
1 {} {0.510036172264 0.320938090811 0.465964253753} H27 57 1
1 {} {0.504669482487 0.174774788714 0.263776101781} H28 58 1
1 {} {0.504768253362 0.252058958012 0.205061084732} H29 59 1
1 {} {0.493582438966 0.250801158155 0.321158335644} H30 60 1
1 {} {0.592853168733 0.151511896473 0.38408767619} H31 61 1
1 {} {0.591413235159 0.197483756233 0.153452395555} H32 62 1
1 {} {0.674461875962 0.452218986357 0.541266507632} H33 63 1
1 {} {0.684180019398 0.480607002123 0.383980564381} H34 64 1
1 {} {0.615920191999 0.651905689249 0.604786550637} H35 65 1
1 {} {0.627068119736 0.536732401045 0.659989756904} H36 66 1
1 {} {0.563345566538 0.614864410993 0.41636740646} H37 67 1
1 {} {0.630012704478 0.684543044537 0.426861772444} H38 68 1
1 {} {0.607782542076 0.557954066594 0.269070502344} H39 69 1
1 {} {0.655778616139 0.600032195088 0.27478667573} H40 70 1
1 {} {0.717573768579 0.572354012233 0.652195374655} H41 71 1
1 {} {0.713159663812 0.64858096326 0.60713349224} H42 72 1
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