iterations/neb0_image08_iter16.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
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@data
6 {} {0.362175191714 0.525720285813 0.423560801557} C1 1 1
14 {} {0.343298706264 0.492573134063 0.534620247659} Si1 2 1
14 {} {0.416317554611 0.570387563742 0.418568099412} Si2 3 1
8 {} {0.346606515904 0.55282456595 0.609843466265} O1 4 1
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8 {} {0.418968531304 0.612556859404 0.515143439123} O3 8 1
8 {} {0.417217381458 0.620250688974 0.330093160931} O4 9 1
14 {} {0.238059209329 0.476178742478 0.55724377723} Si3 10 1
7 {} {0.218445776102 0.397466133842 0.588702193864} N1 11 1
14 {} {0.182410923741 0.393166680282 0.680567698312} Si4 12 1
14 {} {0.23404604026 0.327445594983 0.524694274466} Si5 13 1
7 {} {0.235267750796 0.339776737486 0.411072268291} N2 14 1
7 {} {0.134873185803 0.441464553936 0.673410839279} N3 15 1
1 {} {0.361980600141 0.485278248698 0.37350389136} H1 16 1
1 {} {0.337251976441 0.562666112201 0.401515049265} H2 17 1
1 {} {0.37036496524 0.585013434785 0.59679113344} H3 18 1
1 {} {0.371642217408 0.375616917836 0.521514553893} H4 19 1
1 {} {0.362313652778 0.398559328388 0.634485626255} H5 20 1
1 {} {0.410690697691 0.427594120104 0.578288640936} H6 21 1
1 {} {0.497823053743 0.538568461956 0.412593979285} H7 22 1
1 {} {0.46383931511 0.482190578914 0.352824318159} H8 23 1
1 {} {0.464425177673 0.48211846166 0.470114426417} H9 24 1
1 {} {0.444463622073 0.641543380377 0.524657122701} H10 25 1
1 {} {0.446218113226 0.627541721282 0.303042037872} H11 26 1
1 {} {0.232319074649 0.521866589245 0.635228195841} H12 27 1
1 {} {0.212584452938 0.502781092851 0.479527252709} H13 28 1
1 {} {0.16954038662 0.321481206942 0.68870347725} H14 29 1
1 {} {0.205459022174 0.417532203875 0.762437650114} H15 30 1
1 {} {0.279966366646 0.305804482765 0.549630660845} H16 31 1
1 {} {0.200906123438 0.274082045107 0.545038937587} H17 32 1
1 {} {0.261687507192 0.363867626169 0.383199076048} H18 33 1
1 {} {0.20677981052 0.350539319628 0.377143969894} H19 34 1
1 {} {0.134708451871 0.489080344178 0.697122226548} H20 35 1
1 {} {0.11222119051 0.435539717129 0.623588684581} H21 36 1
6 {} {0.579658178798 0.357057459567 0.308231250903} C4 37 1
14 {} {0.576107192478 0.38938930565 0.425663959686} Si6 38 1
14 {} {0.563647307786 0.268000200189 0.290416796641} Si7 39 1
8 {} {0.604744769777 0.341000630574 0.493742267238} O5 40 1
8 {} {0.597258997633 0.465531216884 0.430285428322} O6 41 1
6 {} {0.517746992569 0.394358461112 0.464330271816} C5 42 1
6 {} {0.502743289023 0.257392563047 0.266794615242} C6 43 1
8 {} {0.578939748086 0.22933812997 0.384657783496} O7 44 1
8 {} {0.593346937831 0.231082812302 0.210497831334} O8 45 1
14 {} {0.641068870454 0.510336716846 0.458952279202} Si8 46 1
7 {} {0.625645322356 0.591425589098 0.486194290521} N4 47 1
14 {} {0.632107749435 0.619215591022 0.596375179971} Si9 48 1
14 {} {0.601753117298 0.645219890032 0.406933692277} Si10 49 1
7 {} {0.612866774644 0.625923222841 0.297330517635} N5 50 1
7 {} {0.684955288436 0.639080756006 0.632854346584} N6 51 1
1 {} {0.560182898692 0.388857209603 0.262385837899} H22 52 1
1 {} {0.614926896062 0.362225546337 0.288606311443} H23 53 1
1 {} {0.602009083356 0.294101598123 0.476009508316} H24 54 1
1 {} {0.50029144137 0.425198153213 0.415997757567} H25 55 1
1 {} {0.51486319051 0.419722118313 0.528845784522} H26 56 1
1 {} {0.499153463696 0.347208798177 0.465555734407} H27 57 1
1 {} {0.493413199357 0.204279038433 0.262169765614} H28 58 1
1 {} {0.493474683321 0.281521646155 0.203409926571} H29 59 1
1 {} {0.482327889515 0.280236905136 0.319591129599} H30 60 1
1 {} {0.581623540692 0.180982876299 0.382437350297} H31 61 1
1 {} {0.580139763431 0.226979816669 0.151784976434} H32 62 1
1 {} {0.663198745087 0.481707817419 0.539696334738} H33 63 1
1 {} {0.672879864035 0.510098339672 0.382341513738} H34 64 1
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1 {} {0.615799672004 0.566283886523 0.65802042377} H36 66 1
1 {} {0.551965901733 0.644361769046 0.414623599073} H37 67 1
1 {} {0.618715899266 0.714112795659 0.425085361583} H38 68 1
1 {} {0.596533414118 0.587540882002 0.267337196379} H39 69 1
1 {} {0.644422304443 0.629513779157 0.273152305643} H40 70 1
1 {} {0.706337511514 0.601777597533 0.65059130849} H41 71 1
1 {} {0.7019291934 0.67817668605 0.605502861865} H42 72 1
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