./iterations/neb0_image03_iter12.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
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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6 {} {0.36194794494 0.556245513769 0.41323901455} C1 1 1
14 {} {0.338684731243 0.529679349509 0.523925950851} Si1 2 1
14 {} {0.423662806083 0.567030092899 0.408790799852} Si2 3 1
8 {} {0.351728278997 0.586357437103 0.599941766341} O1 4 1
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8 {} {0.43644145269 0.602092314392 0.507833502138} O3 8 1
8 {} {0.43640375987 0.618755314286 0.325682602612} O4 9 1
14 {} {0.233239173615 0.532393330456 0.55819682377} Si3 10 1
7 {} {0.213528851175 0.454264135432 0.592419463153} N1 11 1
14 {} {0.191076066942 0.445989123764 0.699867922288} Si4 12 1
14 {} {0.214099640311 0.386606498681 0.517288113156} Si5 13 1
7 {} {0.207998517782 0.407899054215 0.406923512883} N2 14 1
7 {} {0.140622627684 0.485063502917 0.719964775176} N3 15 1
1 {} {0.351899189729 0.520510440015 0.360947579066} H1 16 1
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1 {} {0.445143060183 0.46244920613 0.33119399771} H8 23 1
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1 {} {0.467245685228 0.61643899932 0.513899572996} H10 25 1
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1 {} {0.257366115929 0.350058489446 0.523143966206} H16 31 1
1 {} {0.17649709959 0.341948060976 0.54391288663} H17 32 1
1 {} {0.235011033449 0.422449484425 0.370828119583} H18 33 1
1 {} {0.179998215286 0.431189744391 0.38470979913} H19 34 1
1 {} {0.139862879355 0.534667371826 0.735013077701} H20 35 1
1 {} {0.112600761091 0.471272138541 0.686450286115} H21 36 1
6 {} {0.628933376212 0.636423065614 0.349707169601} C4 37 1
14 {} {0.585980884 0.573846808279 0.387135257888} Si6 38 1
14 {} {0.623286283998 0.724915377757 0.386235927374} Si7 39 1
8 {} {0.535746606701 0.609988326309 0.381684374674} O5 40 1
8 {} {0.586581122269 0.509448830875 0.320026361263} O6 41 1
6 {} {0.596844953431 0.54196380261 0.502041618384} C5 42 1
6 {} {0.641424923361 0.741931798199 0.503422152378} C6 43 1
8 {} {0.568409811288 0.739705207798 0.374699408312} O7 44 1
8 {} {0.651115525438 0.774195364977 0.316386121343} O8 45 1
14 {} {0.580187614135 0.448980966209 0.247076727944} Si8 46 1
7 {} {0.592675069063 0.370905655967 0.290055699088} N4 47 1
14 {} {0.54912353263 0.314680606859 0.313679400519} Si9 48 1
14 {} {0.647317574886 0.345587800789 0.315333085857} Si10 49 1
7 {} {0.688334048863 0.391760376058 0.264244582589} N5 50 1
7 {} {0.525139560977 0.27148927975 0.226672625789} N6 51 1
1 {} {0.662306795195 0.618064015873 0.368483023345} H22 52 1
1 {} {0.628167153292 0.637192948884 0.276071518122} H23 53 1
1 {} {0.538166668536 0.659027343867 0.376950178311} H24 54 1
1 {} {0.628961426051 0.515412067821 0.504748700545} H25 55 1
1 {} {0.570739436063 0.506430984742 0.522357928501} H26 56 1
1 {} {0.597770731317 0.582489854341 0.551627240746} H27 57 1
1 {} {0.636173690896 0.794708741037 0.521606200792} H28 58 1
1 {} {0.677017107002 0.730532583917 0.512800259553} H29 59 1
1 {} {0.622447109803 0.711382708775 0.551188776915} H30 60 1
1 {} {0.557976781618 0.785559148365 0.371823826317} H31 61 1
1 {} {0.668958968363 0.809951439338 0.341462298887} H32 62 1
1 {} {0.532558050807 0.447090891534 0.218372319042} H33 63 1
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1 {} {0.503003483327 0.294782455565 0.185721937883} H41 71 1
1 {} {0.54259491672 0.236063638399 0.192729900285} H42 72 1
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