./iterations/neb0_image03_iter4.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image03
@Columns AsymmetricAtom
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Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.361865827662 0.556252837552 0.413263731305} C1 1 1
14 {} {0.338616418171 0.529609545402 0.523950081215} Si1 2 1
14 {} {0.423595021589 0.567039080312 0.408829982787} Si2 3 1
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8 {} {0.436522122909 0.618503556663 0.325713797725} O4 9 1
14 {} {0.233206863056 0.532362416121 0.558232217952} Si3 10 1
7 {} {0.213497341792 0.454240203811 0.592404901373} N1 11 1
14 {} {0.191058298218 0.445935699286 0.699868979801} Si4 12 1
14 {} {0.214074408661 0.386531612285 0.517341634458} Si5 13 1
7 {} {0.207998000856 0.407949456348 0.40701810892} N2 14 1
7 {} {0.140611963802 0.485020491039 0.719920071611} N3 15 1
1 {} {0.351869368871 0.52050569852 0.360960848758} H1 16 1
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1 {} {0.176484998935 0.341866844763 0.543924007776} H17 32 1
1 {} {0.2350013258 0.422401289811 0.370827891289} H18 33 1
1 {} {0.179960352224 0.431140607608 0.384696584783} H19 34 1
1 {} {0.139839836304 0.534604843802 0.735022377871} H20 35 1
1 {} {0.112565907331 0.471254860916 0.686429784012} H21 36 1
6 {} {0.628940678853 0.636426362135 0.349712568069} C4 37 1
14 {} {0.585921274496 0.573850582238 0.387133665206} Si6 38 1
14 {} {0.62330840257 0.724921554537 0.386215604153} Si7 39 1
8 {} {0.53557950804 0.609687383514 0.381702094588} O5 40 1
8 {} {0.586617048985 0.509455923062 0.320044325938} O6 41 1
6 {} {0.596889620621 0.54196541763 0.502006576776} C5 42 1
6 {} {0.641443372964 0.741960316356 0.50341668439} C6 43 1
8 {} {0.56843264841 0.739734139574 0.374668218428} O7 44 1
8 {} {0.651146328343 0.774207160295 0.31639661604} O8 45 1
14 {} {0.580214155409 0.448988220579 0.24711817371} Si8 46 1
7 {} {0.592723087017 0.37097885879 0.290106044695} N4 47 1
14 {} {0.549090499439 0.314597102775 0.313459294821} Si9 48 1
14 {} {0.647254564115 0.345612377909 0.315354451579} Si10 49 1
7 {} {0.68837523218 0.39172950347 0.26423326877} N5 50 1
7 {} {0.525092685928 0.271461366164 0.226747094726} N6 51 1
1 {} {0.662339931768 0.61808781035 0.3685055344} H22 52 1
1 {} {0.628201032901 0.637218150663 0.276072225822} H23 53 1
1 {} {0.53787418654 0.65864712862 0.376804559702} H24 54 1
1 {} {0.629014034474 0.515393059166 0.504700944393} H25 55 1
1 {} {0.570802837709 0.506409228564 0.522351255885} H26 56 1
1 {} {0.597819123649 0.582475714442 0.551631343859} H27 57 1
1 {} {0.636186665243 0.794742705291 0.521606133234} H28 58 1
1 {} {0.67703746364 0.730568775484 0.512804570746} H29 59 1
1 {} {0.622467876927 0.711411524873 0.551188773373} H30 60 1
1 {} {0.558011862457 0.785605654341 0.371817243976} H31 61 1
1 {} {0.668979207311 0.809981217066 0.341495188474} H32 62 1
1 {} {0.532571932989 0.44713801915 0.218385919598} H33 63 1
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1 {} {0.651052886687 0.274184294285 0.287277892146} H38 68 1
1 {} {0.70154594222 0.432600566362 0.294535862308} H39 69 1
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1 {} {0.503039246788 0.294849819966 0.185744827724} H41 71 1
1 {} {0.542608156884 0.236133271882 0.192818619622} H42 72 1
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