iterations/neb0_image02_iter10.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_image02
@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 {} {0.351093386186 0.555078463382 0.421930902345} C1 1 1
14 {} {0.332015141836 0.522058657724 0.532975303921} Si1 2 1
14 {} {0.406317651698 0.597215569439 0.417708642752} Si2 3 1
8 {} {0.335334807795 0.582312625559 0.608220718498} O1 4 1
8 {} {0.279083487256 0.500043413368 0.524998877807} O2 5 1
6 {} {0.363702192846 0.446095751094 0.568356985235} C2 6 1
6 {} {0.455415449113 0.539615899562 0.411440377866} C3 7 1
8 {} {0.407945927466 0.641626191137 0.512784205113} O3 8 1
8 {} {0.406660246335 0.648128408755 0.329932301467} O4 9 1
14 {} {0.226799254448 0.505650705933 0.555611082029} Si3 10 1
7 {} {0.207177726464 0.426964207714 0.587049627157} N1 11 1
14 {} {0.171132145347 0.422687997646 0.678919282569} Si4 12 1
14 {} {0.22278145629 0.356950798978 0.522990014337} Si5 13 1
7 {} {0.223989272554 0.369291243275 0.409426293835} N2 14 1
7 {} {0.123601861301 0.470970376257 0.671766063642} N3 15 1
1 {} {0.350659349518 0.514660041259 0.371877488091} H1 16 1
1 {} {0.326172104079 0.592224334909 0.39988994529} H2 17 1
1 {} {0.359105380345 0.614493683919 0.595145304212} H3 18 1
1 {} {0.360376323483 0.40510046863 0.519855122939} H4 19 1
1 {} {0.351030880933 0.42803808368 0.63286062747} H5 20 1
1 {} {0.399421338427 0.457090576938 0.576635014857} H6 21 1
1 {} {0.487205753317 0.567262109271 0.410666008443} H7 22 1
1 {} {0.453994054372 0.509017585756 0.350461603711} H8 23 1
1 {} {0.456386430752 0.505437018472 0.468873949884} H9 24 1
1 {} {0.43318962431 0.670957557146 0.52308361718} H10 25 1
1 {} {0.435011542449 0.656888325376 0.301127964163} H11 26 1
1 {} {0.221042742006 0.55135226567 0.633595711459} H12 27 1
1 {} {0.201310284038 0.532267348993 0.477894685206} H13 28 1
1 {} {0.15826418112 0.350961452962 0.687052901857} H14 29 1
1 {} {0.194184499486 0.447006111692 0.76080021569} H15 30 1
1 {} {0.268690293334 0.335289600541 0.54799162862} H16 31 1
1 {} {0.189646790174 0.303576924479 0.543392457586} H17 32 1
1 {} {0.250415689199 0.393334276635 0.381550719101} H18 33 1
1 {} {0.195513151969 0.38001946322 0.375502086352} H19 34 1
1 {} {0.123443538154 0.518572688113 0.695490692035} H20 35 1
1 {} {0.10095679311 0.465023465803 0.621960464452} H21 36 1
6 {} {0.590856122971 0.327602126083 0.309982951928} C4 37 1
14 {} {0.586085875553 0.361093568496 0.426954920981} Si6 38 1
14 {} {0.574916635669 0.238563650449 0.292030523093} Si7 39 1
8 {} {0.614707236916 0.31204237056 0.495023259479} O5 40 1
8 {} {0.608724511613 0.43610672367 0.431971056058} O6 41 1
6 {} {0.526829149894 0.369865763372 0.463590727392} C5 42 1
6 {} {0.514019574709 0.227867403542 0.268426741873} C6 43 1
8 {} {0.590163156819 0.199855946494 0.386311783949} O7 44 1
8 {} {0.604642648048 0.201579724001 0.212153370619} O8 45 1
14 {} {0.652448607308 0.481009980592 0.460628457656} Si8 46 1
7 {} {0.636970370072 0.562055190965 0.487729411791} N4 47 1
14 {} {0.643362510662 0.589708900463 0.597983321547} Si9 48 1
14 {} {0.612993792154 0.615748462567 0.408631599513} Si10 49 1
7 {} {0.624090784975 0.596589399171 0.298970618895} N5 50 1
7 {} {0.696291764998 0.609556065395 0.634354377045} N6 51 1
1 {} {0.571438568164 0.359359316145 0.264019784255} H22 52 1
1 {} {0.626188658778 0.332723459167 0.290394455479} H23 53 1
1 {} {0.613162828806 0.264930569198 0.477480453479} H24 54 1
1 {} {0.507704894376 0.402837083418 0.4190165101} H25 55 1
1 {} {0.525600506331 0.391326933548 0.531117451075} H26 56 1
1 {} {0.510036988352 0.320962961544 0.465937128286} H27 57 1
1 {} {0.504689106355 0.174760710412 0.263796955178} H28 58 1
1 {} {0.504753008739 0.252040612095 0.205081017536} H29 59 1
1 {} {0.493595893047 0.250762298885 0.321174414446} H30 60 1
1 {} {0.592891960429 0.151513872615 0.384066422727} H31 61 1
1 {} {0.591421127161 0.197500443982 0.153461193469} H32 62 1
1 {} {0.674477308632 0.452228789178 0.541311395457} H33 63 1
1 {} {0.684156291154 0.480611875403 0.383993261182} H34 64 1
1 {} {0.615919414602 0.651851556828 0.604728040183} H35 65 1
1 {} {0.62707127379 0.536766848252 0.659813919429} H36 66 1
1 {} {0.563275926727 0.61493092147 0.416323532658} H37 67 1
1 {} {0.630030942237 0.684589425355 0.426748307042} H38 68 1
1 {} {0.607746547373 0.557960482647 0.268983342411} H39 69 1
1 {} {0.65581597297 0.600013027729 0.274701391932} H40 70 1
1 {} {0.717541405494 0.572393425882 0.652182547227} H41 71 1
1 {} {0.713139849626 0.648552744669 0.607192778627} H42 72 1
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