iterations/neb0_image07_iter13.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_image07
@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 {} {0.360381993192 0.530695901342 0.423290887684} C1 1 1
14 {} {0.34138239492 0.497656068741 0.534348305774} Si1 2 1
14 {} {0.414825571709 0.574529439903 0.418621452958} Si2 3 1
8 {} {0.344666361639 0.557945907506 0.60956933047} O1 4 1
8 {} {0.288466083109 0.47569339994 0.52638294869} O2 5 1
6 {} {0.37304165882 0.421674039101 0.569725889632} C2 6 1
6 {} {0.463578197549 0.518231619425 0.411839238124} C3 7 1
8 {} {0.417174516491 0.617379266624 0.514565490579} O3 8 1
8 {} {0.415607737842 0.624442271051 0.330389682477} O4 9 1
14 {} {0.236127726655 0.481251281358 0.556971265783} Si3 10 1
7 {} {0.216513909772 0.402501598925 0.58839900232} N1 11 1
14 {} {0.180493652969 0.398227642025 0.680259385244} Si4 12 1
14 {} {0.232108263765 0.332508045615 0.524387855103} Si5 13 1
7 {} {0.233326506015 0.3449640972 0.410820482469} N2 14 1
7 {} {0.132964573948 0.446581184795 0.673115939432} N3 15 1
1 {} {0.36002308893 0.490258831119 0.373226121798} H1 16 1
1 {} {0.335458045366 0.567724817594 0.401264859925} H2 17 1
1 {} {0.368449368576 0.590081393319 0.596500234735} H3 18 1
1 {} {0.369710841668 0.380665620577 0.52123274542} H4 19 1
1 {} {0.360377404343 0.403587280869 0.634233784286} H5 20 1
1 {} {0.408765068147 0.432634215122 0.578007063293} H6 21 1
1 {} {0.49611002327 0.543176252579 0.412281466935} H7 22 1
1 {} {0.462452276194 0.486333204315 0.352554585514} H8 23 1
1 {} {0.463703651794 0.48516135084 0.469700847248} H9 24 1
1 {} {0.44253403572 0.646571547097 0.524386049463} H10 25 1
1 {} {0.444332025454 0.632589235997 0.302675648502} H11 26 1
1 {} {0.230382204461 0.52691059291 0.634950092954} H12 27 1
1 {} {0.210651829859 0.507826115983 0.479261986217} H13 28 1
1 {} {0.167605130286 0.326542345934 0.688420284115} H14 29 1
1 {} {0.203526082609 0.4225801822 0.762146501697} H15 30 1
1 {} {0.278019513007 0.310855458377 0.549335645643} H16 31 1
1 {} {0.198982119443 0.279139188779 0.544757350606} H17 32 1
1 {} {0.25977145186 0.36892669971 0.38289689436} H18 33 1
1 {} {0.204835847845 0.355606448929 0.376843323126} H19 34 1
1 {} {0.132788085348 0.494179297986 0.696851792274} H20 35 1
1 {} {0.11029385347 0.440593876315 0.623319429154} H21 36 1
6 {} {0.581549119497 0.352021189547 0.308611965123} C4 37 1
14 {} {0.577475179159 0.384809041372 0.42585783612} Si6 38 1
14 {} {0.56557139833 0.262972048198 0.29065439097} Si7 39 1
8 {} {0.606075091083 0.33624225909 0.493820932254} O5 40 1
8 {} {0.599243613069 0.460501252099 0.430516590524} O6 41 1
6 {} {0.519055614279 0.390946590014 0.463714062616} C5 42 1
6 {} {0.504676662605 0.252329047718 0.267074226885} C6 43 1
8 {} {0.580740713663 0.224300032138 0.384947562462} O7 44 1
8 {} {0.595244264994 0.225912090739 0.210798664203} O8 45 1
14 {} {0.643045494059 0.505313802485 0.459155611105} Si8 46 1
7 {} {0.62756159342 0.586356424452 0.486577014099} N4 47 1
14 {} {0.634096339082 0.614171809397 0.596635654339} Si9 48 1
14 {} {0.60368526374 0.640148616005 0.407306468422} Si10 49 1
7 {} {0.614800417547 0.620866900236 0.297667719342} N5 50 1
7 {} {0.686895738764 0.6339921979 0.633172991798} N6 51 1
1 {} {0.562122334843 0.38377535444 0.262640992755} H22 52 1
1 {} {0.616854884471 0.357160273974 0.288989351131} H23 53 1
1 {} {0.603878790786 0.289248125048 0.476213146933} H24 54 1
1 {} {0.500934252052 0.422432440607 0.417093882544} H25 55 1
1 {} {0.516571495779 0.415075050161 0.529118101256} H26 56 1
1 {} {0.500930570156 0.343405629648 0.465257412549} H27 57 1
1 {} {0.495366199848 0.199211581507 0.262458150114} H28 58 1
1 {} {0.495409403255 0.276451310858 0.203696902379} H29 59 1
1 {} {0.484260730196 0.275165957619 0.319871376978} H30 60 1
1 {} {0.583556783092 0.175955000652 0.382714118759} H31 61 1
1 {} {0.582073195257 0.221906092321 0.152038170731} H32 62 1
1 {} {0.665142294469 0.476669805478 0.539955658487} H33 63 1
1 {} {0.67483345389 0.505046638627 0.382583121312} H34 64 1
1 {} {0.606563320667 0.676214837629 0.603262852194} H35 65 1
1 {} {0.617719011064 0.561207800171 0.658254998806} H36 66 1
1 {} {0.55387696053 0.639324499963 0.41488065732} H37 67 1
1 {} {0.620649130741 0.709057488279 0.425323191657} H38 68 1
1 {} {0.598469548864 0.582485979635 0.267605313185} H39 69 1
1 {} {0.646360258286 0.624426812496 0.27341162481} H40 70 1
1 {} {0.708268200975 0.596702426294 0.65087347558} H41 71 1
1 {} {0.703843563818 0.673094174062 0.605798264801} H42 72 1
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