./iterations/neb0_image02_iter40.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#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
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@end
@data
6 {} {0.360095741797 0.551380075408 0.413667223268} C1 1 1
14 {} {0.336685446713 0.524782658873 0.524304433392} Si1 2 1
14 {} {0.421699059622 0.562124914056 0.409473181561} Si2 3 1
8 {} {0.349903573566 0.581603770114 0.600292354062} O1 4 1
8 {} {0.281771143355 0.523065035932 0.517084062673} O2 5 1
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6 {} {0.452867577614 0.481811766342 0.394858143379} C3 7 1
8 {} {0.434666377134 0.597044587408 0.508395481783} O3 8 1
8 {} {0.434842614574 0.613506110019 0.32644441289} O4 9 1
14 {} {0.231368774971 0.527599752282 0.558502772741} Si3 10 1
7 {} {0.211743462906 0.449635643895 0.592762610894} N1 11 1
14 {} {0.189322314064 0.441270742566 0.700210274168} Si4 12 1
14 {} {0.212154435275 0.381959383276 0.517669386918} Si5 13 1
7 {} {0.206129363941 0.403199991782 0.407269520634} N2 14 1
7 {} {0.138879519497 0.480193665519 0.720503173307} N3 15 1
1 {} {0.350100439887 0.515624238611 0.361355478451} H1 16 1
1 {} {0.344496225055 0.599746425194 0.396624584165} H2 17 1
1 {} {0.379779148479 0.599877536693 0.59079827651} H3 18 1
1 {} {0.346903564696 0.40102792594 0.509674946754} H4 19 1
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1 {} {0.443301904336 0.457515183279 0.331848819333} H8 23 1
1 {} {0.446629464927 0.446299518197 0.449382545791} H9 24 1
1 {} {0.465425075495 0.611574647761 0.514467204048} H10 25 1
1 {} {0.466857424793 0.615752480064 0.315288690439} H11 26 1
1 {} {0.229738607646 0.571944073116 0.638714348367} H12 27 1
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1 {} {0.255424394398 0.345260182378 0.523456717021} H16 31 1
1 {} {0.174525609189 0.337371433345 0.544318269158} H17 32 1
1 {} {0.233144691241 0.4177990435 0.371280330486} H18 33 1
1 {} {0.178143440853 0.426618190373 0.385063935639} H19 34 1
1 {} {0.138074992347 0.529822372057 0.735370746175} H20 35 1
1 {} {0.11083925328 0.466423165906 0.68696608715} H21 36 1
6 {} {0.630732779553 0.641144775316 0.349320246219} C4 37 1
14 {} {0.587596202059 0.578724381608 0.386660116064} Si6 38 1
14 {} {0.625093719741 0.729660599376 0.385825968459} Si7 39 1
8 {} {0.537436873904 0.614724973504 0.381066180223} O5 40 1
8 {} {0.588219210047 0.514234834041 0.319454196224} O6 41 1
6 {} {0.598583292506 0.546803438115 0.501604141991} C5 42 1
6 {} {0.643321267075 0.746696359187 0.502972740709} C6 43 1
8 {} {0.570243286124 0.74447246813 0.374432053026} O7 44 1
8 {} {0.65282243993 0.779069480887 0.315944817771} O8 45 1
14 {} {0.582038979567 0.453876169451 0.246492653603} Si8 46 1
7 {} {0.594643000515 0.375802148772 0.289629448941} N4 47 1
14 {} {0.55094846193 0.31941823387 0.31312019118} Si9 48 1
14 {} {0.649141184528 0.350544228747 0.314981565973} Si10 49 1
7 {} {0.6901454782 0.396790998428 0.263822779409} N5 50 1
7 {} {0.527073799585 0.276292934455 0.226013129742} N6 51 1
1 {} {0.664137178632 0.62280611794 0.368070232073} H22 52 1
1 {} {0.629965393905 0.641977731747 0.275666912247} H23 53 1
1 {} {0.539938326561 0.663787887636 0.376552082751} H24 54 1
1 {} {0.630697992255 0.520249510411 0.504496129109} H25 55 1
1 {} {0.572479610901 0.511313864017 0.522035927252} H26 56 1
1 {} {0.599494574282 0.587404703423 0.551101441177} H27 57 1
1 {} {0.638074449456 0.799474971119 0.521173658149} H28 58 1
1 {} {0.678914382171 0.735278362519 0.512325810102} H29 59 1
1 {} {0.624339991359 0.716161152104 0.550755347806} H30 60 1
1 {} {0.559800580874 0.790323191268 0.371466151193} H31 61 1
1 {} {0.670773568563 0.814696387639 0.341023003688} H32 62 1
1 {} {0.534426528859 0.451774938303 0.217733845599} H33 63 1
1 {} {0.611303547042 0.46997194014 0.169098489431} H34 64 1
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1 {} {0.658428330168 0.35663554021 0.412454379188} H37 67 1
1 {} {0.653045743829 0.279110398687 0.286840062287} H38 68 1
1 {} {0.703595867803 0.43752244004 0.294141486888} H39 69 1
1 {} {0.693208678864 0.399640354824 0.196349502691} H40 70 1
1 {} {0.50484778661 0.299417557451 0.185395084667} H41 71 1
1 {} {0.54449425809 0.24092078216 0.192339079804} H42 72 1
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