iterations/neb0_image08_iter19.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 {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.362049415271 0.525587902679 0.423563891212} C1 1 1
14 {} {0.343392233016 0.492188512754 0.534740345492} Si1 2 1
14 {} {0.416039527813 0.57146518415 0.417849208252} Si2 3 1
8 {} {0.346740318863 0.552447289448 0.60988105779} O1 4 1
8 {} {0.290591457089 0.470063533186 0.526656275764} O2 5 1
6 {} {0.375122570839 0.416284154744 0.569974482639} C2 6 1
6 {} {0.464709117484 0.515985913854 0.411260116837} C3 7 1
8 {} {0.418688097719 0.612933293375 0.515748003701} O3 8 1
8 {} {0.416584257466 0.621696442023 0.32881942521} O4 9 1
14 {} {0.238173115549 0.475762723371 0.557252351812} Si3 10 1
7 {} {0.218578591046 0.397087344355 0.588711851666} N1 11 1
14 {} {0.182560987047 0.392799334374 0.680602661965} Si4 12 1
14 {} {0.23417351505 0.327078950306 0.524689092389} Si5 13 1
7 {} {0.235403376175 0.339367612492 0.411058123322} N2 14 1
7 {} {0.135006825066 0.441091912569 0.673462965633} N3 15 1
1 {} {0.362212216904 0.485110839062 0.373533657794} H1 16 1
1 {} {0.336959524149 0.562259220068 0.401437154217} H2 17 1
1 {} {0.370503984095 0.584663508175 0.59683788479} H3 18 1
1 {} {0.371775562226 0.375247189283 0.521554379787} H4 19 1
1 {} {0.362453462262 0.398204882401 0.634495194331} H5 20 1
1 {} {0.410821839032 0.427224190601 0.578297538269} H6 21 1
1 {} {0.497825123706 0.539565422363 0.412608133536} H7 22 1
1 {} {0.462963622689 0.483025781444 0.352241707201} H8 23 1
1 {} {0.462699494177 0.48445215724 0.470811019491} H9 24 1
1 {} {0.44461996482 0.641329542894 0.524702867578} H10 25 1
1 {} {0.446226148593 0.627290430384 0.303274858855} H11 26 1
1 {} {0.232466430419 0.521505570911 0.63521914594} H12 27 1
1 {} {0.212729382088 0.502429329017 0.479519239679} H13 28 1
1 {} {0.169693458699 0.321129738174 0.688759456566} H14 29 1
1 {} {0.205611369493 0.417211110381 0.762461048853} H15 30 1
1 {} {0.280110553965 0.305439242489 0.549631051916} H16 31 1
1 {} {0.201032667488 0.273710882395 0.545065161984} H17 32 1
1 {} {0.261816989203 0.363510998774 0.383217341709} H18 33 1
1 {} {0.206912168318 0.350190310719 0.377169102422} H19 34 1
1 {} {0.13484876846 0.488726537282 0.697126282542} H20 35 1
1 {} {0.112359539255 0.435177546856 0.623617067357} H21 36 1
6 {} {0.579695129394 0.357337315488 0.308013910279} C4 37 1
14 {} {0.57682796629 0.388766306826 0.426140562038} Si6 38 1
14 {} {0.563511914244 0.268310256334 0.290352295475} Si7 39 1
8 {} {0.606102395505 0.340743725303 0.494051341775} O5 40 1
8 {} {0.597119886573 0.465825641591 0.430312680442} O6 41 1
6 {} {0.518195243441 0.392260495665 0.464730901425} C5 42 1
6 {} {0.502616297656 0.257773130449 0.266782694652} C6 43 1
8 {} {0.578815395577 0.229698067798 0.384587246046} O7 44 1
8 {} {0.59322152113 0.231500247667 0.210419297952} O8 45 1
14 {} {0.640863655201 0.51061873752 0.459022649192} Si8 46 1
7 {} {0.625448143557 0.591726818474 0.485999365179} N4 47 1
14 {} {0.631996640573 0.619586470411 0.596500577397} Si9 48 1
14 {} {0.601600216446 0.645539113119 0.407055982031} Si10 49 1
7 {} {0.612790890445 0.626070447875 0.297468189122} N5 50 1
7 {} {0.684804553154 0.639533345721 0.633022186357} N6 51 1
1 {} {0.560075585068 0.389256233129 0.262563357718} H22 52 1
1 {} {0.61485835449 0.362555182992 0.288271737327} H23 53 1
1 {} {0.602070227075 0.293900332342 0.476215222018} H24 54 1
1 {} {0.501830491059 0.42247752249 0.414302119947} H25 55 1
1 {} {0.515109590902 0.419313386676 0.5294470505} H26 56 1
1 {} {0.49958321633 0.344793659203 0.467011548406} H27 57 1
1 {} {0.493300403995 0.20463614102 0.262177761425} H28 58 1
1 {} {0.493318792645 0.281864266568 0.203409652084} H29 59 1
1 {} {0.482202411755 0.280563674913 0.319617821731} H30 60 1
1 {} {0.581523066563 0.181365215422 0.382406390761} H31 61 1
1 {} {0.579999902073 0.227348344859 0.151743280651} H32 62 1
1 {} {0.663027417659 0.4820582596 0.539603272607} H33 63 1
1 {} {0.672681687451 0.510431409713 0.382328738756} H34 64 1
1 {} {0.604498563093 0.681605541596 0.602830808431} H35 65 1
1 {} {0.615662516124 0.566652986183 0.657822166725} H36 66 1
1 {} {0.55179402018 0.644737271758 0.414546029291} H37 67 1
1 {} {0.618557600316 0.714459376137 0.424961841671} H38 68 1
1 {} {0.596364754104 0.587955214128 0.267250955419} H39 69 1
1 {} {0.644245119103 0.629895027302 0.273161049897} H40 70 1
1 {} {0.7062271334 0.602132038764 0.650578917107} H41 71 1
1 {} {0.701835590724 0.678590559334 0.605527535882} H42 72 1
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