iterations/neb0_image02_iter12.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
WyckoffPosition int -1
@end
@data
6 {} {0.351093545139 0.555073065956 0.421939962285} C1 1 1
14 {} {0.331982387997 0.522030380476 0.532972138979} Si1 2 1
14 {} {0.406310388088 0.597214413958 0.417712461411} Si2 3 1
8 {} {0.335349735598 0.58231991957 0.608228937181} O1 4 1
8 {} {0.279130958595 0.500038594341 0.524979309867} O2 5 1
6 {} {0.363701615796 0.446092503086 0.568358757351} C2 6 1
6 {} {0.455418615268 0.539619363417 0.411441038379} C3 7 1
8 {} {0.407950088692 0.641636357328 0.512788789817} O3 8 1
8 {} {0.406668370272 0.648144219482 0.329924471311} O4 9 1
14 {} {0.226759857775 0.505641957026 0.555625265969} Si3 10 1
7 {} {0.207176942933 0.42695097128 0.587048077272} N1 11 1
14 {} {0.171134097986 0.422693687033 0.678908902036} Si4 12 1
14 {} {0.222775340967 0.356957583836 0.522978717626} Si5 13 1
7 {} {0.22399452437 0.369270695059 0.409409782619} N2 14 1
7 {} {0.123601697072 0.470971324685 0.67179355148} N3 15 1
1 {} {0.350659345835 0.514660978483 0.371884659851} H1 16 1
1 {} {0.326166575073 0.592221106544 0.399887127971} H2 17 1
1 {} {0.359097970844 0.614480624119 0.595144941693} H3 18 1
1 {} {0.360374318377 0.405095345485 0.519860570627} H4 19 1
1 {} {0.351031515964 0.428030838713 0.632867299252} H5 20 1
1 {} {0.39941776477 0.457089520527 0.576634349909} H6 21 1
1 {} {0.487202288198 0.567262959867 0.410670367868} H7 22 1
1 {} {0.453994309421 0.509022129823 0.350467771104} H8 23 1
1 {} {0.456386508741 0.505440131124 0.468873916549} H9 24 1
1 {} {0.433180285899 0.670961333358 0.523079664288} H10 25 1
1 {} {0.435000178962 0.656881345397 0.301133628122} H11 26 1
1 {} {0.221045520873 0.551351140578 0.633583423032} H12 27 1
1 {} {0.201313487917 0.53227173574 0.477888006} H13 28 1
1 {} {0.158270824746 0.350971740882 0.687063021237} H14 29 1
1 {} {0.194189993345 0.447020270896 0.760805107028} H15 30 1
1 {} {0.26869171838 0.33528841174 0.547979870256} H16 31 1
1 {} {0.189647453309 0.30357847788 0.54339146593} H17 32 1
1 {} {0.250414810804 0.393335084865 0.381541636529} H18 33 1
1 {} {0.195503960072 0.380027289541 0.375492802434} H19 34 1
1 {} {0.123446354093 0.518579683467 0.69548580048} H20 35 1
1 {} {0.100954254063 0.465022463029 0.621956394701} H21 36 1
6 {} {0.590860789171 0.327618072432 0.30997863194} C4 37 1
14 {} {0.58607705344 0.361054725415 0.426973138686} Si6 38 1
14 {} {0.574917792957 0.238554341483 0.292025827967} Si7 39 1
8 {} {0.614704987828 0.312053781507 0.495028523981} O5 40 1
8 {} {0.608744362329 0.436130887349 0.431974321788} O6 41 1
6 {} {0.526832472484 0.369874486646 0.463586068897} C5 42 1
6 {} {0.514025363957 0.227865797659 0.268429959464} C6 43 1
8 {} {0.590156932281 0.199858873699 0.386298480056} O7 44 1
8 {} {0.604653205395 0.201612423796 0.212165708047} O8 45 1
14 {} {0.652445028723 0.480969028125 0.460657595817} Si8 46 1
7 {} {0.636954004688 0.562053797808 0.487644086868} N4 47 1
14 {} {0.643454780731 0.58975787374 0.598085887775} Si9 48 1
14 {} {0.612976894164 0.615759157832 0.40881607915} Si10 49 1
7 {} {0.624188902574 0.596453813018 0.298813049935} N5 50 1
7 {} {0.696140189501 0.609542297719 0.634407750388} N6 51 1
1 {} {0.571439282805 0.359364765594 0.264019017649} H22 52 1
1 {} {0.626188385259 0.332725057143 0.290397656729} H23 53 1
1 {} {0.613165450366 0.264913232328 0.47747082684} H24 54 1
1 {} {0.507706217639 0.402841415373 0.419014486608} H25 55 1
1 {} {0.525598614874 0.391327740978 0.531117818409} H26 56 1
1 {} {0.510035666984 0.320968150572 0.465927412288} H27 57 1
1 {} {0.504698443166 0.174752740947 0.263804668183} H28 58 1
1 {} {0.504746138928 0.252033811396 0.205085912632} H29 59 1
1 {} {0.493600595898 0.250747939341 0.321182713289} H30 60 1
1 {} {0.592906412765 0.151522189593 0.384054464272} H31 61 1
1 {} {0.591419566593 0.197505489162 0.153443583734} H32 62 1
1 {} {0.674477521132 0.452237340361 0.541302473615} H33 63 1
1 {} {0.684148769875 0.48061694587 0.383982815078} H34 64 1
1 {} {0.615915997129 0.651832299601 0.604694639733} H35 65 1
1 {} {0.62706836168 0.536769241909 0.659750667067} H36 66 1
1 {} {0.563257771129 0.614953193049 0.416308865505} H37 67 1
1 {} {0.630034148339 0.68458880605 0.426698075844} H38 68 1
1 {} {0.607753396732 0.558041426909 0.269015294964} H39 69 1
1 {} {0.6557233883 0.600005136298 0.274770033377} H40 70 1
1 {} {0.717588371365 0.572325775689 0.652215075046} H41 71 1
1 {} {0.713189099831 0.648646623896 0.607142708826} H42 72 1
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