iterations/neb0_image06_iter18.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_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.358465896951 0.535676729564 0.423004509837} C1 1 1
14 {} {0.339482953154 0.502551515644 0.534080406109} Si1 2 1
14 {} {0.413288460676 0.5788334138 0.418418947725} Si2 3 1
8 {} {0.342795924249 0.562786997555 0.609310432913} O1 4 1
8 {} {0.286604617434 0.480460355572 0.526082350598} O2 5 1
6 {} {0.371156864813 0.426609037599 0.569427045878} C2 6 1
6 {} {0.462244514581 0.521948198691 0.412046296536} C3 7 1
8 {} {0.415270291354 0.622369825554 0.514232689931} O3 8 1
8 {} {0.413744401914 0.629496025745 0.330369847106} O4 9 1
14 {} {0.234259136999 0.486148831589 0.556680790222} Si3 10 1
7 {} {0.214623562365 0.407480624444 0.588144322179} N1 11 1
14 {} {0.178605282007 0.403161361731 0.680023329485} Si4 12 1
14 {} {0.230209098096 0.337476358925 0.524155575615} Si5 13 1
7 {} {0.231433139595 0.34973253761 0.41051580793} N2 14 1
7 {} {0.131072570641 0.451443011946 0.672865076941} N3 15 1
1 {} {0.358145359124 0.495232165202 0.372976965703} H1 16 1
1 {} {0.333490234121 0.572691788173 0.400954027726} H2 17 1
1 {} {0.366561333511 0.595003345755 0.596214149267} H3 18 1
1 {} {0.367822107977 0.385601408032 0.520953582954} H4 19 1
1 {} {0.358490252028 0.408539312391 0.633934770788} H5 20 1
1 {} {0.406861251727 0.437586116186 0.577705710872} H6 21 1
1 {} {0.494444820716 0.54832854621 0.411868798361} H7 22 1
1 {} {0.460799866815 0.490606536229 0.351715251212} H8 23 1
1 {} {0.462550808238 0.488403479317 0.469845929052} H9 24 1
1 {} {0.440649600238 0.651532893056 0.524137488918} H10 25 1
1 {} {0.442430907901 0.637536848043 0.302389888509} H11 26 1
1 {} {0.228511616696 0.531854737027 0.634646405214} H12 27 1
1 {} {0.208776128152 0.512773460598 0.478947731017} H13 28 1
1 {} {0.165738235196 0.331459835806 0.688172126805} H14 29 1
1 {} {0.201659579978 0.427541496668 0.761901750967} H15 30 1
1 {} {0.276140250864 0.315799306866 0.549061810053} H16 31 1
1 {} {0.197080105439 0.284071938145 0.544496121053} H17 32 1
1 {} {0.25785667618 0.373841699167 0.382651669672} H18 33 1
1 {} {0.202962765796 0.360533365773 0.376597689764} H19 34 1
1 {} {0.130900632489 0.499067158903 0.696557054368} H20 35 1
1 {} {0.108424735181 0.445518949068 0.623061381296} H21 36 1
6 {} {0.58345924608 0.347077700935 0.308851317864} C4 37 1
14 {} {0.579161723949 0.380032340137 0.42608835968} Si6 38 1
14 {} {0.567448891153 0.258005408887 0.290917038342} Si7 39 1
8 {} {0.607886472307 0.33126507568 0.494093444816} O5 40 1
8 {} {0.601216201263 0.45561061071 0.430852724434} O6 41 1
6 {} {0.520173152911 0.387317762307 0.463142364388} C5 42 1
6 {} {0.50656269693 0.247384221496 0.267313931386} C6 43 1
8 {} {0.582608898977 0.21932334385 0.385220022863} O7 44 1
8 {} {0.597185617813 0.221118694116 0.210988635962} O8 45 1
14 {} {0.644965775643 0.500379345546 0.459624839874} Si8 46 1
7 {} {0.629415200345 0.581491205984 0.486507968306} N4 47 1
14 {} {0.635965281138 0.609254266781 0.597040188691} Si9 48 1
14 {} {0.605548941401 0.635214497321 0.40762104428} Si10 49 1
7 {} {0.616658052052 0.615857248379 0.298053836646} N5 50 1
7 {} {0.688849379341 0.629141991675 0.633469823687} N6 51 1
1 {} {0.564002156486 0.378862567165 0.262974589112} H22 52 1
1 {} {0.618747965033 0.352219877076 0.289223042248} H23 53 1
1 {} {0.605793246795 0.28425053928 0.4764758363} H24 54 1
1 {} {0.501734633927 0.419530348277 0.417295773842} H25 55 1
1 {} {0.518370619752 0.410336852732 0.529952935976} H26 56 1
1 {} {0.502875761526 0.338843817127 0.465506702093} H27 57 1
1 {} {0.49725835922 0.194256286092 0.262728548074} H28 58 1
1 {} {0.497271372338 0.271514765134 0.203958439396} H29 59 1
1 {} {0.486162983778 0.270226812597 0.320140783677} H30 60 1
1 {} {0.585463825978 0.171022556819 0.382955124515} H31 61 1
1 {} {0.583963520373 0.216982892627 0.152340286459} H32 62 1
1 {} {0.667020696513 0.471726101124 0.540232890805} H33 63 1
1 {} {0.676690992886 0.500108986388 0.382907109172} H34 64 1
1 {} {0.608461412121 0.671271873356 0.603486675833} H35 65 1
1 {} {0.619617482202 0.556259172885 0.658510528005} H36 66 1
1 {} {0.555780139518 0.634447863452 0.415164466896} H37 67 1
1 {} {0.622543417096 0.704114324315 0.425557207836} H38 68 1
1 {} {0.600285046672 0.577497612194 0.267835698931} H39 69 1
1 {} {0.648290577613 0.619518595982 0.273661863829} H40 70 1
1 {} {0.710115154491 0.591857993233 0.651104299535} H41 71 1
1 {} {0.705723097941 0.668103538263 0.606140227679} H42 72 1
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