./iterations/neb0_image05_iter5.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_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.356643835121 0.540626174393 0.422703535238} C1 1 1
14 {} {0.337570981251 0.507599725853 0.533747978342} Si1 2 1
14 {} {0.411836450434 0.582818110022 0.418478021324} Si2 3 1
8 {} {0.340843926568 0.567886623107 0.60901031678} O1 4 1
8 {} {0.284689650806 0.485644940777 0.52580762426} O2 5 1
6 {} {0.36924071262 0.431651952214 0.569149945422} C2 6 1
6 {} {0.460846858622 0.525341583614 0.412253082094} C3 7 1
8 {} {0.413481931152 0.627136838181 0.51360451943} O3 8 1
8 {} {0.412189469717 0.633642456917 0.330706338242} O4 9 1
14 {} {0.232318393956 0.491224233103 0.556430315289} Si3 10 1
7 {} {0.21270412733 0.412517642027 0.587857788961} N1 11 1
14 {} {0.176666652913 0.40818452666 0.67969684937} Si4 12 1
14 {} {0.228300649764 0.342520554602 0.523897537021} Si5 13 1
7 {} {0.229519113726 0.354889188464 0.410303760115} N2 14 1
7 {} {0.129152442132 0.456510303559 0.672532535166} N3 15 1
1 {} {0.3561872634 0.500184976639 0.372662903916} H1 16 1
1 {} {0.331704187333 0.577780782983 0.400699031769} H2 17 1
1 {} {0.364626394409 0.600026823562 0.595959307343} H3 18 1
1 {} {0.365910938515 0.390650020194 0.520650151146} H4 19 1
1 {} {0.356559260309 0.413591130798 0.63364973983} H5 20 1
1 {} {0.404946956884 0.442624021687 0.577437999337} H6 21 1
1 {} {0.492718482769 0.552790296594 0.411482731816} H7 22 1
1 {} {0.459489543008 0.494591372918 0.351271054836} H8 23 1
1 {} {0.461845758078 0.491148888553 0.469598131658} H9 24 1
1 {} {0.43872846523 0.656468134174 0.52388725715} H10 25 1
1 {} {0.440540663523 0.642444424256 0.301958666823} H11 26 1
1 {} {0.226563273138 0.536889652536 0.634431836801} H12 27 1
1 {} {0.206825971445 0.517792035817 0.478715601482} H13 28 1
1 {} {0.163773922106 0.33646633779 0.687841201205} H14 29 1
1 {} {0.199701070127 0.432510337553 0.761606768698} H15 30 1
1 {} {0.274228826037 0.320817735257 0.548823055477} H16 31 1
1 {} {0.195169934525 0.289091981199 0.544198985798} H17 32 1
1 {} {0.25595394193 0.378878307476 0.382365806494} H18 33 1
1 {} {0.201045573098 0.365545145213 0.376302293014} H19 34 1
1 {} {0.128962152179 0.504094328648 0.696300820598} H20 35 1
1 {} {0.106483968109 0.450561707702 0.622757027339} H21 36 1
6 {} {0.58532843498 0.342054876619 0.309185062543} C4 37 1
14 {} {0.580529109707 0.375534079885 0.426201260088} Si6 38 1
14 {} {0.569370143051 0.252959900117 0.291258218011} Si7 39 1
8 {} {0.60919186966 0.326537315782 0.494170958723} O5 40 1
8 {} {0.603203438382 0.450688237986 0.431156365959} O6 41 1
6 {} {0.521357898514 0.384165144571 0.462721700457} C5 42 1
6 {} {0.508476622423 0.242355784337 0.267625155923} C6 43 1
8 {} {0.58466042181 0.214326371456 0.385527886762} O7 44 1
8 {} {0.599097606416 0.215957140736 0.211380280974} O8 45 1
14 {} {0.646941158128 0.495462126412 0.459867675631} Si8 46 1
7 {} {0.631371626619 0.576560172008 0.486617536039} N4 47 1
14 {} {0.637884745925 0.604219540629 0.597387734042} Si9 48 1
14 {} {0.60752637546 0.630217472794 0.407875990842} Si10 49 1
7 {} {0.618566705276 0.61112217529 0.297784622182} N5 50 1
7 {} {0.690646528331 0.623914951016 0.633379170812} N6 51 1
1 {} {0.565909316385 0.373806267056 0.263218511059} H22 52 1
1 {} {0.620653208249 0.347182097259 0.289580682873} H23 53 1
1 {} {0.607625376416 0.279401498526 0.476694076571} H24 54 1
1 {} {0.50231536107 0.417028934169 0.418313854375} H25 55 1
1 {} {0.520082713106 0.405775447785 0.530286233974} H26 56 1
1 {} {0.504520892654 0.335356858901 0.465180899188} H27 57 1
1 {} {0.499140896117 0.18924145745 0.262973849713} H28 58 1
1 {} {0.499239588117 0.266520324844 0.204255695045} H29 59 1
1 {} {0.488052815898 0.265264093922 0.320358273201} H30 60 1
1 {} {0.587322003036 0.165975831022 0.383284363996} H31 61 1
1 {} {0.58588480922 0.211944208689 0.152647580152} H32 62 1
1 {} {0.668932087668 0.466684411369 0.540459924167} H33 63 1
1 {} {0.678651720914 0.495072772154 0.38317448865} H34 64 1
1 {} {0.610386297655 0.666366839866 0.603977511628} H35 65 1
1 {} {0.621535991066 0.551192994126 0.659181170872} H36 66 1
1 {} {0.557805443902 0.629323125698 0.41555799801} H37 67 1
1 {} {0.624474316122 0.69900202196 0.426055432288} H38 68 1
1 {} {0.602257538203 0.572412403552 0.268258730308} H39 69 1
1 {} {0.6502461967 0.614496664053 0.273982765122} H40 70 1
1 {} {0.712044529216 0.586818244265 0.651390729977} H41 71 1
1 {} {0.707626436108 0.663041241976 0.606333401977} H42 72 1
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