iterations/neb0_image05_iter15.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_image05
@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 {} {0.356641688425 0.540563655327 0.422727313477} C1 1 1
14 {} {0.33757419174 0.5075146683 0.533754247292} Si1 2 1
14 {} {0.411692264295 0.583084141225 0.418399901893} Si2 3 1
8 {} {0.340883426276 0.567810943013 0.609000218136} O1 4 1
8 {} {0.284695468956 0.48560877396 0.525798633969} O2 5 1
6 {} {0.369263818512 0.431572490602 0.569160211182} C2 6 1
6 {} {0.460703039622 0.525754017495 0.412059624155} C3 7 1
8 {} {0.413487277327 0.627095946423 0.513728710616} O3 8 1
8 {} {0.412123248832 0.633803044914 0.330499034746} O4 9 1
14 {} {0.23230630492 0.491166945733 0.556421988142} Si3 10 1
7 {} {0.212732169876 0.412427977251 0.587879138419} N1 11 1
14 {} {0.176696901319 0.408121052791 0.679733867047} Si4 12 1
14 {} {0.22833205101 0.342431721683 0.523884353302} Si5 13 1
7 {} {0.229534977372 0.354882410694 0.410307368425} N2 14 1
7 {} {0.129185271064 0.45646248056 0.672568393746} N3 15 1
1 {} {0.356228538832 0.50013225296 0.372690597215} H1 16 1
1 {} {0.331692823727 0.577668606028 0.40070849412} H2 17 1
1 {} {0.364648398578 0.599949140668 0.59595488413} H3 18 1
1 {} {0.365936239672 0.390565003395 0.520678229523} H4 19 1
1 {} {0.356593066885 0.413502362873 0.633666515543} H5 20 1
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1 {} {0.492647867585 0.552849910228 0.41155726747} H7 22 1
1 {} {0.459338373515 0.494857944255 0.351440129276} H8 23 1
1 {} {0.461535878141 0.491762052021 0.469517339223} H9 24 1
1 {} {0.438741663191 0.656423818199 0.523872864299} H10 25 1
1 {} {0.440564761697 0.642415996423 0.30200665265} H11 26 1
1 {} {0.226589968455 0.536821293249 0.63442096271} H12 27 1
1 {} {0.206844442016 0.5177385234 0.478672473875} H13 28 1
1 {} {0.163817309418 0.336411387768 0.687879639375} H14 29 1
1 {} {0.199748875707 0.432468762582 0.761625731477} H15 30 1
1 {} {0.274252190863 0.320740581222 0.548796378864} H16 31 1
1 {} {0.195199923418 0.2890261356 0.544205943401} H17 32 1
1 {} {0.255985019181 0.37881454225 0.382350544387} H18 33 1
1 {} {0.201050837671 0.365498906274 0.376291865777} H19 34 1
1 {} {0.129001432405 0.504059902367 0.696298420218} H20 35 1
1 {} {0.106516971796 0.450480109925 0.622777934054} H21 36 1
6 {} {0.585306965386 0.342141642022 0.309183358386} C4 37 1
14 {} {0.58066515272 0.375494052215 0.426232309608} Si6 38 1
14 {} {0.569358685738 0.25305630357 0.291245514546} Si7 39 1
8 {} {0.609302746831 0.326564500278 0.494215440031} O5 40 1
8 {} {0.603144678679 0.450723773575 0.431121492339} O6 41 1
6 {} {0.521584127037 0.383653742172 0.463039011502} C5 42 1
6 {} {0.508458903361 0.242416404231 0.267643281743} C6 43 1
8 {} {0.584644596841 0.214417271332 0.385496463698} O7 44 1
8 {} {0.59907441725 0.216039586311 0.211389475526} O8 45 1
14 {} {0.646889701887 0.495479566294 0.459790265552} Si8 46 1
7 {} {0.631379082335 0.576540609656 0.486885684933} N4 47 1
14 {} {0.637892848162 0.604260034461 0.597251945937} Si9 48 1
14 {} {0.607469478561 0.630237698895 0.407883863126} Si10 49 1
7 {} {0.618607415754 0.610978503791 0.297988371206} N5 50 1
7 {} {0.690605412863 0.624040148247 0.633622339533} N6 51 1
1 {} {0.565887529742 0.373879215295 0.263209001033} H22 52 1
1 {} {0.620625316628 0.347249785604 0.289576701642} H23 53 1
1 {} {0.607616913626 0.279436714219 0.476688268286} H24 54 1
1 {} {0.502672251942 0.416374385713 0.418127031001} H25 55 1
1 {} {0.520105433152 0.405697040385 0.53015897307} H26 56 1
1 {} {0.504549450565 0.334987857863 0.465301210071} H27 57 1
1 {} {0.499143667918 0.18930097266 0.263005704247} H28 58 1
1 {} {0.499195226448 0.266561139056 0.20426852681} H29 59 1
1 {} {0.488033674097 0.265289046051 0.320402959457} H30 60 1
1 {} {0.587335564125 0.166064163444 0.383256910979} H31 61 1
1 {} {0.585870460954 0.212015496042 0.152642286602} H32 62 1
1 {} {0.668915716053 0.466776937602 0.540457590105} H33 63 1
1 {} {0.678616408007 0.495147926615 0.383130648519} H34 64 1
1 {} {0.610366369555 0.666322732292 0.603851380913} H35 65 1
1 {} {0.621514192596 0.551293013254 0.658902740545} H36 66 1
1 {} {0.557717085073 0.629449213142 0.415480947123} H37 67 1
1 {} {0.624442081615 0.699098934971 0.425906210822} H38 68 1
1 {} {0.602229551156 0.57257088713 0.268206324584} H39 69 1
1 {} {0.65013762981 0.614537710326 0.27398283697} H40 70 1
1 {} {0.712069831065 0.586799943377 0.651433488846} H41 71 1
1 {} {0.707637371223 0.663200716367 0.606334265096} H42 72 1
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