./iterations/neb0_image04_iter46.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_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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6 {} {0.36365437373 0.561173753656 0.412908736191} C1 1 1
14 {} {0.340424255801 0.534605272591 0.523486226119} Si1 2 1
14 {} {0.425178606088 0.571430520188 0.408916505966} Si2 3 1
8 {} {0.353723180959 0.591431157955 0.599399658217} O1 4 1
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8 {} {0.438378584085 0.606240177477 0.507803792972} O3 8 1
8 {} {0.43801812558 0.622853163455 0.325658824998} O4 9 1
14 {} {0.235149246403 0.537476921426 0.55769176638} Si3 10 1
7 {} {0.215555075513 0.459538350871 0.591833532823} N1 11 1
14 {} {0.193166959512 0.451202072654 0.699290052098} Si4 12 1
14 {} {0.216052013945 0.391798448726 0.516789079938} Si5 13 1
7 {} {0.21000072305 0.412764750326 0.406280286965} N2 14 1
7 {} {0.142735962426 0.490121432709 0.719681677266} N3 15 1
1 {} {0.353805499795 0.525457182181 0.360499676363} H1 16 1
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1 {} {0.446239088471 0.466362186522 0.330966465996} H8 23 1
1 {} {0.449395609666 0.455249488168 0.448613899217} H9 24 1
1 {} {0.469362124827 0.619776551471 0.513477565542} H10 25 1
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1 {} {0.259342341121 0.355162420472 0.522682359037} H16 31 1
1 {} {0.178427356848 0.347277240113 0.543528081262} H17 32 1
1 {} {0.237029538224 0.427646425477 0.370500938316} H18 33 1
1 {} {0.182074620532 0.436478974456 0.384323477011} H19 34 1
1 {} {0.141971331459 0.539764952113 0.734478116713} H20 35 1
1 {} {0.114708699185 0.476361881817 0.686122815154} H21 36 1
6 {} {0.627550334796 0.63147440355 0.350067260717} C4 37 1
14 {} {0.584312884899 0.569429123097 0.387680074522} Si6 38 1
14 {} {0.621665657073 0.719994568841 0.386579442783} Si7 39 1
8 {} {0.534959222185 0.607772782367 0.382425566067} O5 40 1
8 {} {0.584121195278 0.504989182096 0.32022539191} O6 41 1
6 {} {0.59483040179 0.537061496356 0.502475504253} C5 42 1
6 {} {0.639531533597 0.73693719029 0.503858924365} C6 43 1
8 {} {0.566758845827 0.7348675147 0.375403024742} O7 44 1
8 {} {0.648981081157 0.769659997206 0.316533777807} O8 45 1
14 {} {0.578072783204 0.444299569425 0.247719719502} Si8 46 1
7 {} {0.590676312292 0.366127724859 0.290835278997} N4 47 1
14 {} {0.547090338331 0.309662375054 0.314019945079} Si9 48 1
14 {} {0.645265184673 0.340797720746 0.31588449258} Si10 49 1
7 {} {0.686234259717 0.387015587141 0.264582229105} N5 50 1
7 {} {0.523224526038 0.266489232456 0.226922238685} N6 51 1
1 {} {0.661037567224 0.613332111264 0.368343037909} H22 52 1
1 {} {0.626412154135 0.632178126002 0.276447955246} H23 53 1
1 {} {0.538707713441 0.656826224376 0.378161358628} H24 54 1
1 {} {0.626844791256 0.51028403924 0.505756169838} H25 55 1
1 {} {0.568550317921 0.501724334743 0.522470559503} H26 56 1
1 {} {0.595665227986 0.577595715463 0.552079352666} H27 57 1
1 {} {0.634191980106 0.789694592346 0.522063455064} H28 58 1
1 {} {0.675096439342 0.725494126611 0.513438573957} H29 59 1
1 {} {0.620449103077 0.706326069367 0.551433041353} H30 60 1
1 {} {0.555886664182 0.780463226843 0.372133220861} H31 61 1
1 {} {0.666998622594 0.805173103334 0.341572913965} H32 62 1
1 {} {0.530488019257 0.441994924754 0.218758703618} H33 63 1
1 {} {0.607309023249 0.460153447428 0.170234659095} H34 64 1
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1 {} {0.654575079993 0.346816601494 0.413320783856} H37 67 1
1 {} {0.64914383393 0.269381066009 0.287642114632} H38 68 1
1 {} {0.699759014908 0.427658403138 0.294928153391} H39 69 1
1 {} {0.689277128058 0.38983757429 0.197196944867} H40 70 1
1 {} {0.500898237374 0.289523476292 0.186301351462} H41 71 1
1 {} {0.540633728289 0.231046850513 0.19316970428} H42 72 1
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