iterations/neb0_image06_iter8.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_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.358514507807 0.535717814974 0.42301581601} C1 1 1
14 {} {0.339448855007 0.502725011751 0.534026854275} Si1 2 1
14 {} {0.413529543146 0.578355734793 0.41864543007} Si2 3 1
8 {} {0.342739285327 0.562937511319 0.609273367144} O1 4 1
8 {} {0.286498477749 0.480644077109 0.526100505174} O2 5 1
6 {} {0.371105615883 0.426746290666 0.56942404508} C2 6 1
6 {} {0.462291280716 0.521415565329 0.412265249826} C3 7 1
8 {} {0.415360129321 0.622231090427 0.513952119595} O3 8 1
8 {} {0.413986306096 0.628929779459 0.33081955373} O4 9 1
14 {} {0.234245093101 0.486300315202 0.556663789821} Si3 10 1
7 {} {0.214580066318 0.407610249994 0.588137495436} N1 11 1
14 {} {0.178551134922 0.40328638843 0.680008148322} Si4 12 1
14 {} {0.23017004232 0.337602111004 0.524174975593} Si5 13 1
7 {} {0.231392952021 0.349916590781 0.410540921761} N2 14 1
7 {} {0.131021514682 0.451587656447 0.672818196167} N3 15 1
1 {} {0.358060076956 0.495290500266 0.372944183116} H1 16 1
1 {} {0.33358223312 0.572849144497 0.400974291818} H2 17 1
1 {} {0.366507495791 0.595130468688 0.59622054472} H3 18 1
1 {} {0.367780668097 0.385739117467 0.520930855238} H4 19 1
1 {} {0.35843862029 0.408675976739 0.63392521362} H5 20 1
1 {} {0.406826648053 0.437717998401 0.577712816238} H6 21 1
1 {} {0.494500298919 0.547923205828 0.411856794757} H7 22 1
1 {} {0.461153075958 0.490144098989 0.351808149875} H8 23 1
1 {} {0.463234944997 0.487355861909 0.469622505925} H9 24 1
1 {} {0.440591241776 0.651574686655 0.524129470243} H10 25 1
1 {} {0.442409148918 0.637579760488 0.302295406628} H11 26 1
1 {} {0.228447694699 0.531980429119 0.634677682565} H12 27 1
1 {} {0.208713587202 0.512891795582 0.47897677127} H13 28 1
1 {} {0.16566474728 0.331577318711 0.688124924419} H14 29 1
1 {} {0.20158718617 0.427625749412 0.761877151126} H15 30 1
1 {} {0.276093171055 0.315924525012 0.549079277393} H16 31 1
1 {} {0.197044582853 0.284202047549 0.544475032077} H17 32 1
1 {} {0.25781944521 0.373972390459 0.382640973946} H18 33 1
1 {} {0.202921785093 0.360647839167 0.376582979099} H19 34 1
1 {} {0.130842619892 0.499186291797 0.696565509071} H20 35 1
1 {} {0.108363386713 0.445655130998 0.623035797669} H21 36 1
6 {} {0.583449609924 0.346960164731 0.308914551842} C4 37 1
14 {} {0.578769754463 0.380297911551 0.426036829999} Si6 38 1
14 {} {0.567505007246 0.25789391883 0.290940494626} Si7 39 1
8 {} {0.607443959007 0.331378651673 0.493948466825} O5 40 1
8 {} {0.601257928791 0.455496296065 0.430837290131} O6 41 1
6 {} {0.51996861039 0.388158400019 0.462868500529} C5 42 1
6 {} {0.506605464009 0.247250873823 0.26733854915} C6 43 1
8 {} {0.582720578721 0.219205935199 0.385233764442} O7 44 1
8 {} {0.597214814637 0.220922106416 0.211061823484} O8 45 1
14 {} {0.645072187529 0.500351712758 0.459581503112} Si8 46 1
7 {} {0.629499265341 0.581406097341 0.486580457063} N4 47 1
14 {} {0.63600032094 0.60910797831 0.596930823905} Si9 48 1
14 {} {0.605649982228 0.635136537411 0.407590232522} Si10 49 1
7 {} {0.616643199626 0.616006656833 0.297909260803} N5 50 1
7 {} {0.688933405195 0.628914194966 0.633234757341} N6 51 1
1 {} {0.564033817426 0.37872173842 0.262914370516} H22 52 1
1 {} {0.618783899349 0.352095659288 0.289304775238} H23 53 1
1 {} {0.605764619612 0.284301524453 0.476423759195} H24 54 1
1 {} {0.501148314011 0.42059918983 0.418047004605} H25 55 1
1 {} {0.51826831793 0.410507366899 0.529683386497} H26 56 1
1 {} {0.502713237285 0.339879957641 0.465010548341} H27 57 1
1 {} {0.497276517195 0.19414738276 0.262714502004} H28 58 1
1 {} {0.49735232076 0.271408279554 0.203975336355} H29 59 1
1 {} {0.486193115552 0.270139492557 0.320109878291} H30 60 1
1 {} {0.585472194693 0.170879465894 0.383003244638} H31 61 1
1 {} {0.584013474482 0.216853011482 0.152380256416} H32 62 1
1 {} {0.667073283658 0.471592206346 0.540250061228} H33 63 1
1 {} {0.676763626371 0.499986077924 0.382921017783} H34 64 1
1 {} {0.608505272144 0.67121833118 0.603644541218} H35 65 1
1 {} {0.619659607088 0.556121851736 0.658752221952} H36 66 1
1 {} {0.555867854485 0.634259086047 0.415226870527} H37 67 1
1 {} {0.622600585992 0.703967862491 0.425696077085} H38 68 1
1 {} {0.600353141156 0.577257838772 0.267855575344} H39 69 1
1 {} {0.648415166236 0.619390160422 0.273618902042} H40 70 1
1 {} {0.710114231188 0.591791127056 0.651082445963} H41 71 1
1 {} {0.70570782564 0.667870746567 0.606141429809} H42 72 1
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