iterations/neb0_image01_iter24.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 {} {0.349262356526 0.559840243997 0.421602533691} C1 1 1
14 {} {0.33017313628 0.526792590851 0.532660591682} Si1 2 1
14 {} {0.404461099895 0.602009020787 0.417372193359} Si2 3 1
8 {} {0.333493704693 0.587097063721 0.607930001694} O1 4 1
8 {} {0.277243618624 0.504962673869 0.524673893409} O2 5 1
6 {} {0.361855453853 0.450869672238 0.568101325742} C2 6 1
6 {} {0.453581604477 0.54442741863 0.4111447374} C3 7 1
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8 {} {0.40482772113 0.653208638542 0.329825593042} O4 9 1
14 {} {0.224903971652 0.510449286539 0.55530467352} Si3 10 1
7 {} {0.20531986735 0.431741129916 0.586787666343} N1 11 1
14 {} {0.1693097145 0.427504168454 0.678683148733} Si4 12 1
14 {} {0.220922264796 0.361767844649 0.52274928321} Si5 13 1
7 {} {0.222137091327 0.374370947921 0.409221779308} N2 14 1
7 {} {0.121811294768 0.475858864626 0.671575291546} N3 15 1
1 {} {0.348827866719 0.519405182346 0.371574654347} H1 16 1
1 {} {0.324281608025 0.596945062783 0.399636093846} H2 17 1
1 {} {0.357237734293 0.619236016886 0.59484209807} H3 18 1
1 {} {0.358544577714 0.409860471272 0.519630030986} H4 19 1
1 {} {0.349218001653 0.4328132152 0.632629659218} H5 20 1
1 {} {0.39756574294 0.461899343371 0.576354963977} H6 21 1
1 {} {0.48537462415 0.572055462037 0.410423387321} H7 22 1
1 {} {0.452221013024 0.513792610212 0.35021639437} H8 23 1
1 {} {0.454538058624 0.510255610663 0.468588719301} H9 24 1
1 {} {0.431284889252 0.675779368429 0.522773923443} H10 25 1
1 {} {0.433121119908 0.661660724372 0.300807744021} H11 26 1
1 {} {0.21919651251 0.556147326451 0.633315658097} H12 27 1
1 {} {0.19944120245 0.537085734821 0.477556423372} H13 28 1
1 {} {0.156443767372 0.355782623719 0.686862190437} H14 29 1
1 {} {0.192378869264 0.45185712983 0.760546029114} H15 30 1
1 {} {0.266861556842 0.340061779992 0.547639439365} H16 31 1
1 {} {0.187795882563 0.308338033567 0.543099517863} H17 32 1
1 {} {0.248598330524 0.398190450865 0.381199944838} H18 33 1
1 {} {0.193644303264 0.384898048942 0.375157292175} H19 34 1
1 {} {0.121625977015 0.523463829599 0.695196975167} H20 35 1
1 {} {0.0991463229595 0.469849583125 0.62176423173} H21 36 1
6 {} {0.592702594956 0.32279568444 0.310234140088} C4 37 1
14 {} {0.587910460015 0.356351613841 0.427203885835} Si6 38 1
14 {} {0.576742737659 0.233712714822 0.292343631776} Si7 39 1
8 {} {0.616516971715 0.307292558159 0.495271624512} O5 40 1
8 {} {0.6105676585 0.431394053477 0.43222307497} O6 41 1
6 {} {0.528646233495 0.365111234631 0.463789226375} C5 42 1
6 {} {0.515842441254 0.223045984798 0.268773434272} C6 43 1
8 {} {0.592093699974 0.195092257078 0.386580721297} O7 44 1
8 {} {0.606455802585 0.196666262937 0.212504545097} O8 45 1
14 {} {0.654314536898 0.476215259514 0.460879756018} Si8 46 1
7 {} {0.638797362736 0.557273079448 0.487879868279} N4 47 1
14 {} {0.645303756038 0.584934595554 0.598385739106} Si9 48 1
14 {} {0.614785921186 0.610911154086 0.409073979787} Si10 49 1
7 {} {0.626070471057 0.591451105602 0.299383051702} N5 50 1
7 {} {0.698046654547 0.604713291662 0.634890408514} N6 51 1
1 {} {0.5732856975 0.354555912958 0.264280646732} H22 52 1
1 {} {0.628035918146 0.327905018675 0.290639226591} H23 53 1
1 {} {0.615008951111 0.260128280545 0.477709008082} H24 54 1
1 {} {0.5095114429 0.398115873029 0.41927973835} H25 55 1
1 {} {0.52741484176 0.386514743456 0.531349584293} H26 56 1
1 {} {0.51185776916 0.316203891915 0.466102178293} H27 57 1
1 {} {0.50656690586 0.169920523491 0.26413325017} H28 58 1
1 {} {0.506559101924 0.247190051175 0.205407409485} H29 59 1
1 {} {0.495424886539 0.245912727607 0.321546752804} H30 60 1
1 {} {0.594813294656 0.146740972736 0.3842855814} H31 61 1
1 {} {0.593277498226 0.192722434237 0.153695269432} H32 62 1
1 {} {0.676329870394 0.447442842984 0.541508108998} H33 63 1
1 {} {0.685998578223 0.475804532732 0.384164248413} H34 64 1
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1 {} {0.628902513035 0.531852802549 0.659902750494} H36 66 1
1 {} {0.565069749438 0.610194510266 0.416598276417} H37 67 1
1 {} {0.631883950985 0.67971147709 0.426828413926} H38 68 1
1 {} {0.609468393347 0.55327765853 0.269186321665} H39 69 1
1 {} {0.657548378233 0.595166906432 0.275113358367} H40 70 1
1 {} {0.719464253566 0.567490585247 0.652504027971} H41 71 1
1 {} {0.715047914533 0.643810484741 0.607554974597} H42 72 1
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