iterations/neb0_image08_iter7.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}}
Name string {{}}
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@data
6 {} {0.362287775631 0.525879835083 0.423555790886} C1 1 1
14 {} {0.343204411235 0.492887453584 0.534565669169} Si1 2 1
14 {} {0.416821135662 0.569326826642 0.418996214212} Si2 3 1
8 {} {0.346493884264 0.553108040724 0.609816047908} O1 4 1
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8 {} {0.417647643447 0.619301711675 0.331103966062} O4 9 1
14 {} {0.23798161759 0.476463719801 0.557238656464} Si3 10 1
7 {} {0.218343762461 0.397772520885 0.5886853611} N1 11 1
14 {} {0.182292818084 0.39346481704 0.680528117489} Si4 12 1
14 {} {0.233937976152 0.327755622742 0.524687648023} Si5 13 1
7 {} {0.235158067577 0.340095012223 0.411084117342} N2 14 1
7 {} {0.134772278217 0.441755779643 0.673368083144} N3 15 1
1 {} {0.361816746021 0.485449463813 0.373473487183} H1 16 1
1 {} {0.337346982209 0.56301099481 0.401527467247} H2 17 1
1 {} {0.370260942138 0.585294439974 0.596767532675} H3 18 1
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1 {} {0.498036197459 0.538074623068 0.412516932982} H7 22 1
1 {} {0.464519379137 0.481214116341 0.352702031777} H8 23 1
1 {} {0.46585863525 0.479875271388 0.469882198771} H9 24 1
1 {} {0.444340597913 0.641734753306 0.524656317276} H10 25 1
1 {} {0.446146336298 0.627751492065 0.302890096019} H11 26 1
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1 {} {0.205341098201 0.41778460577 0.762424298478} H15 30 1
1 {} {0.279859704028 0.306083349678 0.549631429186} H16 31 1
1 {} {0.200804431849 0.274361919584 0.545020826807} H17 32 1
1 {} {0.261583414921 0.364143211134 0.383188070816} H18 33 1
1 {} {0.206682869356 0.350808888593 0.377132250577} H19 34 1
1 {} {0.13459906474 0.48934570152 0.697112413068} H20 35 1
1 {} {0.112119532388 0.435822934469 0.62357999512} H21 36 1
6 {} {0.579688579318 0.356812119132 0.308360926178} C4 37 1
14 {} {0.575269614697 0.389759524442 0.425648476307} Si6 38 1
14 {} {0.56375183732 0.267707561381 0.290458849006} Si7 39 1
8 {} {0.60390314479 0.341166811564 0.49342791222} O5 40 1
8 {} {0.59739177517 0.465297598092 0.430250043411} O6 41 1
6 {} {0.517293113836 0.396144549479 0.463291564209} C5 42 1
6 {} {0.502842551666 0.257100603003 0.26680329949} C6 43 1
8 {} {0.579036053745 0.229044373865 0.384700063047} O7 44 1
8 {} {0.593444886866 0.23075640716 0.210537767032} O8 45 1
14 {} {0.641330179754 0.510150289956 0.459048414291} Si8 46 1
7 {} {0.625713998506 0.591244380561 0.485905581244} N4 47 1
14 {} {0.632303287955 0.619010532382 0.596494558443} Si9 48 1
14 {} {0.601891481921 0.644964142133 0.407161130346} Si10 49 1
7 {} {0.61291246499 0.625856202144 0.297250859221} N5 50 1
7 {} {0.685133197984 0.638734616482 0.632662230558} N6 51 1
1 {} {0.560271147787 0.388562721913 0.262325658734} H22 52 1
1 {} {0.615021203861 0.361945943234 0.288747338089} H23 53 1
1 {} {0.602008419115 0.294121559834 0.475903853853} H24 54 1
1 {} {0.498933484328 0.427539589946 0.417352556105} H25 55 1
1 {} {0.514660412841 0.420010631778 0.528656680963} H26 56 1
1 {} {0.498969608123 0.349027478231 0.464647551639} H27 57 1
1 {} {0.49350720979 0.203999330137 0.262164631159} H28 58 1
1 {} {0.493594815833 0.281254631434 0.203417102863} H29 59 1
1 {} {0.482426852098 0.2799843486 0.319569498612} H30 60 1
1 {} {0.581701882321 0.180716351347 0.382461929431} H31 61 1
1 {} {0.580251334468 0.226692150957 0.151828297157} H32 62 1
1 {} {0.663307286634 0.481435137848 0.539690839009} H33 63 1
1 {} {0.673010307125 0.509832198466 0.38235964123} H34 64 1
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1 {} {0.552116506556 0.644062132029 0.414677207274} H37 67 1
1 {} {0.618831504905 0.713794219479 0.425162599821} H38 68 1
1 {} {0.596605587777 0.58710866469 0.267309352239} H39 69 1
1 {} {0.6446476774 0.629236315738 0.273085853638} H40 70 1
1 {} {0.706357864775 0.601622340706 0.650534979638} H41 71 1
1 {} {0.701945452217 0.677711936855 0.605581884382} H42 72 1
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