iterations/neb0_image01_iter6.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
WyckoffPosition int -1
@end
@data
6 {} {0.349260497578 0.559890410091 0.421629267892} C1 1 1
14 {} {0.330216745181 0.526872207098 0.532676741611} Si1 2 1
14 {} {0.404475037609 0.602019046538 0.417401616187} Si2 3 1
8 {} {0.33346837421 0.587142721142 0.607933428633} O1 4 1
8 {} {0.277254965308 0.504923695271 0.524737734487} O2 5 1
6 {} {0.361867362321 0.450921864583 0.568080745462} C2 6 1
6 {} {0.453576405355 0.544424358671 0.411172394437} C3 7 1
8 {} {0.406118710219 0.646394259405 0.512515402604} O3 8 1
8 {} {0.404817702302 0.652972245004 0.32967805262} O4 9 1
14 {} {0.224965641317 0.51049632974 0.555345788745} Si3 10 1
7 {} {0.205332803698 0.431782830605 0.586784468666} N1 11 1
14 {} {0.169294622112 0.4274695057 0.678639581147} Si4 12 1
14 {} {0.220936886245 0.361770665875 0.522802921851} Si5 13 1
7 {} {0.222143334588 0.374203489958 0.409230377474} N2 14 1
7 {} {0.121777779389 0.47579597765 0.671463458384} N3 15 1
1 {} {0.348820696819 0.519466159214 0.371593867747} H1 16 1
1 {} {0.324330930529 0.597048081658 0.399629002781} H2 17 1
1 {} {0.357261446219 0.619314419753 0.594882703127} H3 18 1
1 {} {0.358540280158 0.409927580643 0.519582754348} H4 19 1
1 {} {0.349192567791 0.432868281337 0.632580264654} H5 20 1
1 {} {0.397580733764 0.461906946616 0.576367937085} H6 21 1
1 {} {0.485370292451 0.572065314191 0.410386641395} H7 22 1
1 {} {0.452162662252 0.513826109131 0.350199236057} H8 23 1
1 {} {0.454545943719 0.510239597685 0.468604078872} H9 24 1
1 {} {0.431354275497 0.675759550015 0.522823688909} H10 25 1
1 {} {0.433173186915 0.661710162625 0.300858418078} H11 26 1
1 {} {0.219197505358 0.556168633078 0.633352443966} H12 27 1
1 {} {0.199460892014 0.537073404398 0.477638234659} H13 28 1
1 {} {0.15640995481 0.35575371069 0.686772069174} H14 29 1
1 {} {0.192334090974 0.451795941324 0.760531053212} H15 30 1
1 {} {0.266854189046 0.340099919304 0.547740930936} H16 31 1
1 {} {0.187800302045 0.308376414968 0.543126834811} H17 32 1
1 {} {0.248591261937 0.39816357612 0.38128198424} H18 33 1
1 {} {0.193672791546 0.384828127233 0.375228211907} H19 34 1
1 {} {0.121595421638 0.523396335666 0.695234379451} H20 35 1
1 {} {0.099119688149 0.46984105569 0.621694316071} H21 36 1
6 {} {0.592697054592 0.322760327939 0.310243460549} C4 37 1
14 {} {0.587927992073 0.356343409164 0.427201485613} Si6 38 1
14 {} {0.576736851938 0.233694575522 0.292337642327} Si7 39 1
8 {} {0.616546978349 0.307245592785 0.495266334187} O5 40 1
8 {} {0.610558856189 0.431350455122 0.432238467288} O6 41 1
6 {} {0.528662379056 0.365040528881 0.463850626271} C5 42 1
6 {} {0.515841899783 0.223064729399 0.268704225245} C6 43 1
8 {} {0.592040571963 0.195044650177 0.386599349408} O7 44 1
8 {} {0.606461054104 0.196670031721 0.2124469619} O8 45 1
14 {} {0.654299656163 0.47622941914 0.460882142176} Si8 46 1
7 {} {0.63880198719 0.557263004947 0.487969941576} N4 47 1
14 {} {0.645146641061 0.584868153455 0.598256605178} Si9 48 1
14 {} {0.614855761991 0.610921540423 0.408751016458} Si10 49 1
7 {} {0.625890784052 0.591876060543 0.299141965433} N5 50 1
7 {} {0.698149015601 0.604686134721 0.634510926186} N6 51 1
1 {} {0.573280579156 0.354527757382 0.264297072716} H22 52 1
1 {} {0.628026826531 0.327902482876 0.29065277697} H23 53 1
1 {} {0.614997857981 0.260121291323 0.477759764209} H24 54 1
1 {} {0.509536105926 0.398025621142 0.419288839262} H25 55 1
1 {} {0.527442964403 0.386506578785 0.531378777178} H26 56 1
1 {} {0.511874392475 0.316130728174 0.46622010417} H27 57 1
1 {} {0.506516496198 0.169961439771 0.264052178398} H28 58 1
1 {} {0.506605167709 0.247236349236 0.205334860627} H29 59 1
1 {} {0.495424625726 0.245979182218 0.321437836441} H30 60 1
1 {} {0.59470429324 0.146699361413 0.384350457475} H31 61 1
1 {} {0.593260464154 0.19267230853 0.153730059742} H32 62 1
1 {} {0.676309672475 0.447403823817 0.541553706049} H33 63 1
1 {} {0.686017344159 0.475786718294 0.384255694876} H34 64 1
1 {} {0.617764018231 0.647066009547 0.605038806578} H35 65 1
1 {} {0.628916686033 0.531932542186 0.660195087589} H36 66 1
1 {} {0.565156636203 0.610064903001 0.41663082484} H37 67 1
1 {} {0.631863942745 0.67974329785 0.427101413435} H38 68 1
1 {} {0.609609337338 0.553123521512 0.269298083709} H39 69 1
1 {} {0.657665816692 0.595202875715 0.274997665875} H40 70 1
1 {} {0.719395075544 0.567559145073 0.652456302438} H41 71 1
1 {} {0.714970198744 0.643712839364 0.607453814926} H42 72 1
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