iterations/neb0_image01_iter7.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_image01
@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 {} {0.349258214978 0.559886789028 0.421631624546} C1 1 1
14 {} {0.33021594343 0.526867623209 0.53267661702} Si1 2 1
14 {} {0.40447032661 0.602019718571 0.417392753502} Si2 3 1
8 {} {0.33346847947 0.587135977672 0.607930580831} O1 4 1
8 {} {0.277241217355 0.504926194322 0.524736830292} O2 5 1
6 {} {0.361867893192 0.450919215207 0.568082569648} C2 6 1
6 {} {0.45357537073 0.544425750321 0.411175325655} C3 7 1
8 {} {0.406121653779 0.64638366334 0.512512308331} O3 8 1
8 {} {0.404815451973 0.652987926888 0.329684726} O4 9 1
14 {} {0.224963845935 0.510492826734 0.55534323441} Si3 10 1
7 {} {0.205333543876 0.431777134231 0.586784898576} N1 11 1
14 {} {0.169295427945 0.427473196546 0.678643877291} Si4 12 1
14 {} {0.220938221832 0.361764394738 0.522793365948} Si5 13 1
7 {} {0.222141547425 0.374214777091 0.409230116517} N2 14 1
7 {} {0.121776387409 0.475799209571 0.671467205296} N3 15 1
1 {} {0.348821681894 0.519465593165 0.371595043913} H1 16 1
1 {} {0.324330212786 0.597042240706 0.399630255382} H2 17 1
1 {} {0.357262690308 0.619316340079 0.594881482563} H3 18 1
1 {} {0.358540025247 0.40992565629 0.519584899355} H4 19 1
1 {} {0.349193731515 0.432866254033 0.63258158852} H5 20 1
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1 {} {0.485373058973 0.572065021863 0.410386839308} H7 22 1
1 {} {0.452165449275 0.513825734356 0.350201783568} H8 23 1
1 {} {0.45454684753 0.510236162433 0.468606285239} H9 24 1
1 {} {0.431352293243 0.675762853156 0.522824173898} H10 25 1
1 {} {0.433173645281 0.661708477949 0.300854135572} H11 26 1
1 {} {0.219199310431 0.556168317288 0.633349322602} H12 27 1
1 {} {0.199462615981 0.537074630531 0.47763475403} H13 28 1
1 {} {0.156412431477 0.355754844156 0.686774611343} H14 29 1
1 {} {0.192335852106 0.451798315241 0.760531155554} H15 30 1
1 {} {0.266853098726 0.340099487393 0.547736901515} H16 31 1
1 {} {0.187800731303 0.308377239514 0.543127569543} H17 32 1
1 {} {0.248593104162 0.398164708539 0.381279122886} H18 33 1
1 {} {0.193671638208 0.384829564804 0.375228207745} H19 34 1
1 {} {0.121597348147 0.523403037346 0.695235666288} H20 35 1
1 {} {0.0991214330149 0.469839533468 0.621696772267} H21 36 1
6 {} {0.592696934928 0.322760534803 0.310242625276} C4 37 1
14 {} {0.587930591438 0.356349369333 0.427196991403} Si6 38 1
14 {} {0.576735643665 0.233700027482 0.29233860425} Si7 39 1
8 {} {0.616546990584 0.307244090799 0.495269922408} O5 40 1
8 {} {0.610556609004 0.431345935585 0.432236610162} O6 41 1
6 {} {0.528661361432 0.365044019773 0.4638475206} C5 42 1
6 {} {0.515841490704 0.223063596346 0.268706576952} C6 43 1
8 {} {0.592043628003 0.195045838781 0.386597435789} O7 44 1
8 {} {0.606460245647 0.196668931122 0.212447592349} O8 45 1
14 {} {0.654299386319 0.476234846857 0.460872870441} Si8 46 1
7 {} {0.638805898837 0.557256525883 0.487991975146} N4 47 1
14 {} {0.64515605755 0.584866864602 0.598237789367} Si9 48 1
14 {} {0.614846052266 0.610916021404 0.408779234855} Si10 49 1
7 {} {0.625886466967 0.591868821551 0.299200422546} N5 50 1
7 {} {0.698167962908 0.604694795025 0.634530928788} N6 51 1
1 {} {0.573280632774 0.354528244261 0.26429640325} H22 52 1
1 {} {0.628027520528 0.327902283555 0.290652572871} H23 53 1
1 {} {0.61499851757 0.260122530221 0.47775768363} H24 54 1
1 {} {0.509533577149 0.398030639126 0.419286606118} H25 55 1
1 {} {0.527441444835 0.386506731339 0.531379719457} H26 56 1
1 {} {0.511873732164 0.316134021257 0.46621510209} H27 57 1
1 {} {0.50651896881 0.169960886306 0.264055678411} H28 58 1
1 {} {0.506603231834 0.247233314835 0.205338496255} H29 59 1
1 {} {0.495425397989 0.245975297174 0.321442151621} H30 60 1
1 {} {0.594709298564 0.146700818075 0.384348146865} H31 61 1
1 {} {0.593261959069 0.192674431356 0.153731119154} H32 62 1
1 {} {0.676311357085 0.44740552337 0.541556632167} H33 63 1
1 {} {0.686014523088 0.475787319072 0.384255755511} H34 64 1
1 {} {0.617762037359 0.64705748402 0.605028862936} H35 65 1
1 {} {0.628916268193 0.531935633445 0.660167555345} H36 66 1
1 {} {0.565148324065 0.610072891186 0.416622757686} H37 67 1
1 {} {0.631867724453 0.679748275634 0.427081189587} H38 68 1
1 {} {0.609601334329 0.553120020037 0.269279171577} H39 69 1
1 {} {0.657678601624 0.595199775395 0.274977638999} H40 70 1
1 {} {0.719387667324 0.567568259637 0.65245123175} H41 71 1
1 {} {0.714961641616 0.643697016473 0.607469709538} H42 72 1
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