./iterations/neb0_image08_iter43.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_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.370806200622 0.582141383638 0.411446726167} C1 1 1
14 {} {0.348274779745 0.555255067288 0.52220632908} Si1 2 1
14 {} {0.432279782488 0.589338918496 0.407247081927} Si2 3 1
8 {} {0.361642746866 0.611943751046 0.598175588849} O1 4 1
8 {} {0.293107374457 0.553021981598 0.515320590949} O2 5 1
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8 {} {0.446120228766 0.623648979974 0.505966378372} O3 8 1
8 {} {0.4441449675 0.641432427863 0.324193964263} O4 9 1
14 {} {0.243046709769 0.55797919766 0.556244179455} Si3 10 1
7 {} {0.223525203018 0.479855071346 0.590263176488} N1 11 1
14 {} {0.201238701274 0.471647636856 0.697724199406} Si4 12 1
14 {} {0.224175487154 0.412251849849 0.515086526495} Si5 13 1
7 {} {0.218108369018 0.433103397972 0.40455653669} N2 14 1
7 {} {0.150807013873 0.51060512248 0.718146480931} N3 15 1
1 {} {0.360966869203 0.546305624183 0.359043498254} H1 16 1
1 {} {0.355621124578 0.630711994621 0.394244118584} H2 17 1
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1 {} {0.358833614484 0.431378952286 0.507264505526} H4 19 1
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1 {} {0.446842860061 0.480431643914 0.330426764874} H8 23 1
1 {} {0.448717907173 0.46954926082 0.446048172917} H9 24 1
1 {} {0.476820049203 0.638165076226 0.511513280017} H10 25 1
1 {} {0.474999946899 0.640721847387 0.305331916431} H11 26 1
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1 {} {0.267440171994 0.375582178111 0.521024965989} H16 31 1
1 {} {0.186543048034 0.367694345921 0.541797682187} H17 32 1
1 {} {0.245137012694 0.448103332378 0.368874530833} H18 33 1
1 {} {0.190189402702 0.456894472396 0.382706792693} H19 34 1
1 {} {0.150073030539 0.560255469968 0.732783833025} H20 35 1
1 {} {0.122848361617 0.496837437134 0.684398596334} H21 36 1
6 {} {0.622623173479 0.611831831333 0.351660343504} C4 37 1
14 {} {0.579584617788 0.550498350705 0.38980359302} Si6 38 1
14 {} {0.615754346516 0.700623090228 0.38761402919} Si7 39 1
8 {} {0.533355499223 0.596039179394 0.385120649765} O5 40 1
8 {} {0.576293278909 0.487090951061 0.321425901132} O6 41 1
6 {} {0.587783649256 0.516982009623 0.504093799647} C5 42 1
6 {} {0.631860145618 0.716710600226 0.50603253963} C6 43 1
8 {} {0.561155864626 0.717664948808 0.376603012316} O7 44 1
8 {} {0.642105242497 0.751066364665 0.317203656449} O8 45 1
14 {} {0.570189352172 0.425003757315 0.250439592838} Si8 46 1
7 {} {0.582501852815 0.34668492773 0.293226857939} N4 47 1
14 {} {0.539009760159 0.289712576049 0.315743457127} Si9 48 1
14 {} {0.6370637677 0.320506482315 0.317537351185} Si10 49 1
7 {} {0.678146897332 0.366552850205 0.266234098425} N5 50 1
7 {} {0.515226469116 0.246353782262 0.228788198807} N6 51 1
1 {} {0.656872035542 0.596177846609 0.366584547571} H22 52 1
1 {} {0.620951226875 0.612034036292 0.278293863401} H23 53 1
1 {} {0.539568763732 0.64428969163 0.380036437398} H24 54 1
1 {} {0.6191429253 0.48921478755 0.509375231208} H25 55 1
1 {} {0.56084248094 0.48222991443 0.521434355862} H26 56 1
1 {} {0.588244523666 0.556743143982 0.554455493546} H27 57 1
1 {} {0.626140343002 0.769404974786 0.524180483756} H28 58 1
1 {} {0.667315529836 0.705068547056 0.51622378197} H29 59 1
1 {} {0.612379168033 0.685823542429 0.552850863433} H30 60 1
1 {} {0.548934924448 0.762441252813 0.373171934084} H31 61 1
1 {} {0.659743029541 0.78666896909 0.343046651782} H32 62 1
1 {} {0.52274326521 0.42234962063 0.221654285051} H33 63 1
1 {} {0.599233731417 0.439921289267 0.172616799781} H34 64 1
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1 {} {0.50204482432 0.327292496088 0.35897321673} H36 66 1
1 {} {0.646492359536 0.326304428238 0.415049483948} H37 67 1
1 {} {0.640893581808 0.249044826447 0.289263921239} H38 68 1
1 {} {0.691687957735 0.407101665079 0.296603301473} H39 69 1
1 {} {0.681149108852 0.36935055139 0.19887344654} H40 70 1
1 {} {0.492722109734 0.269127515905 0.187961056408} H41 71 1
1 {} {0.53253210643 0.210597735693 0.1950360563} H42 72 1
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