iterations/neb0_image01_iter23.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 {} {0.349256987486 0.559834657656 0.421619164927} C1 1 1
14 {} {0.330159392134 0.526788286828 0.532667791512} Si1 2 1
14 {} {0.404466420181 0.602016471714 0.417361461181} Si2 3 1
8 {} {0.333494522535 0.587090035788 0.607919017598} O1 4 1
8 {} {0.277258427523 0.504969663532 0.524669181196} O2 5 1
6 {} {0.361859157497 0.450875071109 0.568101465392} C2 6 1
6 {} {0.45358563423 0.544428909459 0.411151637699} C3 7 1
8 {} {0.406157692359 0.646256342472 0.512577053758} O3 8 1
8 {} {0.404817593164 0.65321769692 0.329819149075} O4 9 1
14 {} {0.224884018918 0.510451661334 0.555314400839} Si3 10 1
7 {} {0.205321405331 0.431725653578 0.586791539283} N1 11 1
14 {} {0.169307279101 0.427497479928 0.678680700818} Si4 12 1
14 {} {0.220924220244 0.361759366872 0.522746616229} Si5 13 1
7 {} {0.222133234672 0.374374440101 0.409217985796} N2 14 1
7 {} {0.121806019587 0.475856365777 0.671570974796} N3 15 1
1 {} {0.348828898038 0.519405760537 0.371572083409} H1 16 1
1 {} {0.324279770257 0.596951410047 0.399634490245} H2 17 1
1 {} {0.357239335541 0.619244693459 0.594845471822} H3 18 1
1 {} {0.358543811827 0.409862034141 0.519626667539} H4 19 1
1 {} {0.349217413839 0.432814221231 0.632629835179} H5 20 1
1 {} {0.39756870425 0.461897968436 0.576357354312} H6 21 1
1 {} {0.485370244933 0.572048278175 0.410420445963} H7 22 1
1 {} {0.452220612715 0.513799789744 0.350230546214} H8 23 1
1 {} {0.454541506438 0.510250025575 0.468588059499} H9 24 1
1 {} {0.43128748615 0.675781107889 0.522778403003} H10 25 1
1 {} {0.433129839727 0.661662474805 0.300804721653} H11 26 1
1 {} {0.219201087398 0.556149306333 0.63331489168} H12 27 1
1 {} {0.199447026106 0.537087928175 0.477557936719} H13 28 1
1 {} {0.156446627575 0.355788210155 0.686855433295} H14 29 1
1 {} {0.192378201703 0.451856848084 0.760548234717} H15 30 1
1 {} {0.266862081823 0.340063503209 0.547644696367} H16 31 1
1 {} {0.187795985009 0.308341694267 0.543106133817} H17 32 1
1 {} {0.248605793092 0.398192529326 0.381199207846} H18 33 1
1 {} {0.19364254465 0.384892262798 0.375163727155} H19 34 1
1 {} {0.121624886441 0.523472073132 0.695203022171} H20 35 1
1 {} {0.099147480769 0.469846355539 0.621761847659} H21 36 1
6 {} {0.592705950251 0.322797657317 0.310231808585} C4 37 1
14 {} {0.587907451769 0.356336900128 0.42721394892} Si6 38 1
14 {} {0.57674382333 0.233706536651 0.292342910903} Si7 39 1
8 {} {0.616518764668 0.307282400239 0.495267671908} O5 40 1
8 {} {0.610573152005 0.431407315111 0.432219522658} O6 41 1
6 {} {0.5286493756 0.365113247009 0.463792634314} C5 42 1
6 {} {0.515844753252 0.223050882336 0.268771350004} C6 43 1
8 {} {0.592093210269 0.195088094058 0.386574693998} O7 44 1
8 {} {0.606449880056 0.19666828145 0.212500081471} O8 45 1
14 {} {0.654315443961 0.476194231592 0.460894208823} Si8 46 1
7 {} {0.6387996158 0.557269504891 0.487920203411} N4 47 1
14 {} {0.645271917906 0.584916489767 0.598387879556} Si9 48 1
14 {} {0.614812045129 0.61090450948 0.409011978322} Si10 49 1
7 {} {0.626067936571 0.591417511005 0.29941799944} N5 50 1
7 {} {0.698045679671 0.604728344911 0.63490974233} N6 51 1
1 {} {0.573284234037 0.354554823165 0.264279531875} H22 52 1
1 {} {0.628034907059 0.327902544496 0.290639549274} H23 53 1
1 {} {0.615009089503 0.260136562607 0.477712763421} H24 54 1
1 {} {0.509508286825 0.39811444596 0.419278212393} H25 55 1
1 {} {0.527415071424 0.386511177151 0.531346082664} H26 56 1
1 {} {0.511859220338 0.316203928133 0.466105314456} H27 57 1
1 {} {0.506565614702 0.16991871587 0.264130253758} H28 58 1
1 {} {0.506559127644 0.247190956404 0.205400447512} H29 59 1
1 {} {0.4954245553 0.24591427765 0.321546867171} H30 60 1
1 {} {0.594810184579 0.146744450993 0.384287252478} H31 61 1
1 {} {0.593280086978 0.19272140437 0.153708488971} H32 62 1
1 {} {0.676325494724 0.447450232574 0.5414986168} H33 63 1
1 {} {0.685996680059 0.475805433411 0.384162698268} H34 64 1
1 {} {0.617764957458 0.646934422649 0.604827737702} H35 65 1
1 {} {0.628911070583 0.531890432509 0.659846958112} H36 66 1
1 {} {0.565034497321 0.610196411763 0.416593467891} H37 67 1
1 {} {0.631885659076 0.679717894316 0.426819825249} H38 68 1
1 {} {0.609501448862 0.553332972948 0.269225973517} H39 69 1
1 {} {0.657520496779 0.595160818985 0.275119394365} H40 70 1
1 {} {0.719477679127 0.567454972863 0.652519492246} H41 71 1
1 {} {0.715053257434 0.643836931316 0.607529378123} H42 72 1
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