iterations/neb0_image08_iter26.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
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@data
6 {} {0.362135059102 0.525908526383 0.423436334002} C1 1 1
14 {} {0.343468495957 0.492159473269 0.534745135075} Si1 2 1
14 {} {0.415960262351 0.572101484247 0.417472214431} Si2 3 1
8 {} {0.346785203926 0.552301303289 0.609978796923} O1 4 1
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8 {} {0.416321427871 0.622543108663 0.328860639844} O4 9 1
14 {} {0.238286820008 0.475592950629 0.557216092606} Si3 10 1
7 {} {0.218623025015 0.396932271783 0.588701232333} N1 11 1
14 {} {0.18261769646 0.392679888015 0.680615047188} Si4 12 1
14 {} {0.234222888871 0.326935215558 0.524680952904} Si5 13 1
7 {} {0.23545549891 0.339203078841 0.41105335134} N2 14 1
7 {} {0.135073544481 0.440937152236 0.67347357982} N3 15 1
1 {} {0.362344453661 0.485209956306 0.373538021712} H1 16 1
1 {} {0.336484075315 0.562044038134 0.401313551902} H2 17 1
1 {} {0.37054975502 0.584513647245 0.596891884345} H3 18 1
1 {} {0.371834057849 0.375086742359 0.521554408042} H4 19 1
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1 {} {0.410893966578 0.427068937367 0.578288033688} H6 21 1
1 {} {0.497835716372 0.540435743805 0.412444585616} H7 22 1
1 {} {0.462613116645 0.483338218186 0.351937093867} H8 23 1
1 {} {0.462306694163 0.484547576621 0.471275248807} H9 24 1
1 {} {0.444570078205 0.641250346217 0.524874616917} H10 25 1
1 {} {0.445889282773 0.6273508848 0.303365940579} H11 26 1
1 {} {0.232528627199 0.521342755585 0.635197371601} H12 27 1
1 {} {0.212790356853 0.50227392679 0.479506586303} H13 28 1
1 {} {0.169754678374 0.320953871963 0.688804260021} H14 29 1
1 {} {0.205677579512 0.417083130579 0.762465209789} H15 30 1
1 {} {0.280167586383 0.305283289189 0.549626032886} H16 31 1
1 {} {0.2010818737 0.27354393057 0.545075283506} H17 32 1
1 {} {0.261861687511 0.363353043707 0.383233433805} H18 33 1
1 {} {0.206972890568 0.350041578257 0.377184405044} H19 34 1
1 {} {0.134909003974 0.488561411115 0.697116718717} H20 35 1
1 {} {0.112430383492 0.435024598473 0.623657383819} H21 36 1
6 {} {0.579833948928 0.35732006226 0.308143353762} C4 37 1
14 {} {0.57675469116 0.388398030772 0.427101063944} Si6 38 1
14 {} {0.563497788231 0.268433351963 0.290225986508} Si7 39 1
8 {} {0.607169535105 0.340395012431 0.493502446566} O5 40 1
8 {} {0.597008659292 0.465408818245 0.430452214353} O6 41 1
6 {} {0.518070276485 0.392096344663 0.464837444056} C5 42 1
6 {} {0.502553914313 0.257903587231 0.266801082784} C6 43 1
8 {} {0.57875271237 0.229858604367 0.38458109663} O7 44 1
8 {} {0.593186154187 0.23161962045 0.210332544711} O8 45 1
14 {} {0.640936090172 0.51086602355 0.459110175533} Si8 46 1
7 {} {0.625299497537 0.591943401158 0.485771527744} N4 47 1
14 {} {0.632069818508 0.619833145934 0.596507800834} Si9 48 1
14 {} {0.601535683455 0.645690046092 0.407244821024} Si10 49 1
7 {} {0.612692439857 0.626222081872 0.297644707043} N5 50 1
7 {} {0.684846374569 0.63969633436 0.633012098698} N6 51 1
1 {} {0.560062622337 0.389473816969 0.262985737497} H22 52 1
1 {} {0.615015654313 0.362617241798 0.287692911007} H23 53 1
1 {} {0.602337606544 0.293603286571 0.476654988223} H24 54 1
1 {} {0.501713763824 0.422161390016 0.413460124645} H25 55 1
1 {} {0.515217394691 0.418399519437 0.528941143438} H26 56 1
1 {} {0.50033508455 0.343767653301 0.468219001324} H27 57 1
1 {} {0.493271734456 0.204788887204 0.262184494673} H28 58 1
1 {} {0.493249722544 0.282015283232 0.20341740448} H29 59 1
1 {} {0.482153694683 0.280708974338 0.319630677008} H30 60 1
1 {} {0.581489479938 0.18152654181 0.382405967696} H31 61 1
1 {} {0.579938677725 0.22748893324 0.15169227476} H32 62 1
1 {} {0.662930396373 0.48217165912 0.539538795649} H33 63 1
1 {} {0.672543540559 0.510530327875 0.382374999361} H34 64 1
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1 {} {0.551753496671 0.644887376102 0.414524660964} H37 67 1
1 {} {0.618479872791 0.714522675751 0.424914538751} H38 68 1
1 {} {0.59619636143 0.587960364636 0.267073498758} H39 69 1
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1 {} {0.706080052665 0.60248688862 0.650473074696} H41 71 1
1 {} {0.701717938726 0.678565127565 0.605693698956} H42 72 1
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