iterations/neb0_image06_iter20.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
WyckoffPosition int -1
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@data
6 {} {0.358454667724 0.535647150216 0.423008835688} C1 1 1
14 {} {0.339499161978 0.50246657531 0.534098627741} Si1 2 1
14 {} {0.41316124364 0.579101316835 0.41830880891} Si2 3 1
8 {} {0.342832347569 0.562708199952 0.609325542324} O1 4 1
8 {} {0.28664647258 0.480356620933 0.526078507113} O2 5 1
6 {} {0.371182479555 0.426536461146 0.569429914678} C2 6 1
6 {} {0.462149563239 0.52232625863 0.411903543674} C3 7 1
8 {} {0.415240849739 0.622408055644 0.514345585} O3 8 1
8 {} {0.413642074521 0.62974156341 0.330169993445} O4 9 1
14 {} {0.234274857274 0.48606907213 0.556681801578} Si3 10 1
7 {} {0.214648070139 0.407409070609 0.588149446823} N1 11 1
14 {} {0.178636116264 0.403097372789 0.68003780617} Si4 12 1
14 {} {0.230230183262 0.337406206407 0.524146647416} Si5 13 1
7 {} {0.231457668916 0.349633730788 0.410501874672} N2 14 1
7 {} {0.131098994343 0.451368401837 0.672891775184} N3 15 1
1 {} {0.358186006265 0.495194391289 0.372992243586} H1 16 1
1 {} {0.333456527426 0.572604926523 0.400946936804} H2 17 1
1 {} {0.366587413452 0.594933000398 0.596212420687} H3 18 1
1 {} {0.367844230147 0.385527194286 0.520965184753} H4 19 1
1 {} {0.358518335189 0.408465201141 0.633940464105} H5 20 1
1 {} {0.406883788593 0.437515188353 0.577704333652} H6 21 1
1 {} {0.494409283945 0.548483997563 0.411893076743} H7 22 1
1 {} {0.460625721902 0.490864795667 0.351737680283} H8 23 1
1 {} {0.462195274413 0.489008214772 0.469890368928} H9 24 1
1 {} {0.440675228558 0.651501570609 0.524137504394} H10 25 1
1 {} {0.44243942549 0.637512170818 0.302442287732} H11 26 1
1 {} {0.228545900423 0.531786303988 0.634628910356} H12 27 1
1 {} {0.208810535463 0.512709811078 0.478934629529} H13 28 1
1 {} {0.165777455291 0.331397489215 0.688195421607} H14 29 1
1 {} {0.201697394798 0.42749464118 0.761911938162} H15 30 1
1 {} {0.2761635122 0.315733563528 0.549051758432} H16 31 1
1 {} {0.197101042633 0.28400533761 0.544506628088} H17 32 1
1 {} {0.257875414234 0.373770954625 0.38265845072} H18 33 1
1 {} {0.202984001898 0.360472655356 0.376604554271} H19 34 1
1 {} {0.130932117292 0.499001529087 0.696552650317} H20 35 1
1 {} {0.108455921494 0.445445656877 0.623071726724} H21 36 1
6 {} {0.583457155419 0.347140308941 0.308829529915} C4 37 1
14 {} {0.579324183501 0.379911287304 0.426144204558} Si6 38 1
14 {} {0.567422391392 0.258074017018 0.290897006631} Si7 39 1
8 {} {0.608085599521 0.331233313099 0.494151122988} O5 40 1
8 {} {0.601180350664 0.455652941992 0.430849844689} O6 41 1
6 {} {0.520341555415 0.386828326235 0.463351806857} C5 42 1
6 {} {0.506539607758 0.247453811327 0.267301957899} C6 43 1
8 {} {0.58254733471 0.219388956841 0.385208786031} O7 44 1
8 {} {0.597168624825 0.221225270364 0.210962593105} O8 45 1
14 {} {0.64491987097 0.500407950753 0.459633984442} Si8 46 1
7 {} {0.629371132484 0.581529955206 0.486503718044} N4 47 1
14 {} {0.635979786276 0.609341718501 0.597063103674} Si9 48 1
14 {} {0.605497360972 0.635269798335 0.407695631251} Si10 49 1
7 {} {0.616669703113 0.615792166581 0.298126940534} N5 50 1
7 {} {0.688796169477 0.629251370623 0.633587328758} N6 51 1
1 {} {0.563983074472 0.378938668025 0.262995458323} H22 52 1
1 {} {0.618731126793 0.35228701914 0.289182558481} H23 53 1
1 {} {0.605803284448 0.284235898003 0.476497060929} H24 54 1
1 {} {0.502088977751 0.418872436966 0.416994279296} H25 55 1
1 {} {0.518416177589 0.410238971253 0.529967919462} H26 56 1
1 {} {0.502954307507 0.338379415826 0.46572767465} H27 57 1
1 {} {0.497247364263 0.194316996466 0.262736462042} H28 58 1
1 {} {0.497229657804 0.271570457348 0.203950580483} H29 59 1
1 {} {0.486147410961 0.270272148125 0.320157084271} H30 60 1
1 {} {0.585459837495 0.171092489686 0.382932705303} H31 61 1
1 {} {0.583935533035 0.21705179874 0.15231339908} H32 62 1
1 {} {0.666996258853 0.471797027966 0.540237459352} H33 63 1
1 {} {0.676651550302 0.500176974029 0.382904509482} H34 64 1
1 {} {0.60843257544 0.671302804538 0.603409132427} H35 65 1
1 {} {0.619591024266 0.556329820374 0.658384404995} H36 66 1
1 {} {0.555727025751 0.634547579764 0.415123999833} H37 67 1
1 {} {0.622513371632 0.704197694744 0.425477179448} H38 68 1
1 {} {0.600245088739 0.577605996825 0.267804401103} H39 69 1
1 {} {0.648227123059 0.619584681544 0.273672672582} H40 70 1
1 {} {0.710107214359 0.591904794417 0.651109314925} H41 71 1
1 {} {0.705723886406 0.668216777019 0.606142605152} H42 72 1
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