iterations/neb0_image02_iter19.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 {} {0.351087338587 0.555075157055 0.421947823393} C1 1 1
14 {} {0.332028218633 0.522037498325 0.532989676173} Si1 2 1
14 {} {0.406319391188 0.597224015131 0.417721624152} Si2 3 1
8 {} {0.335332650773 0.582262025944 0.608244419912} O1 4 1
8 {} {0.279092571921 0.500006794494 0.524979375387} O2 5 1
6 {} {0.363690587044 0.44607842784 0.568368777717} C2 6 1
6 {} {0.455416971551 0.539625714872 0.41144399805} C3 7 1
8 {} {0.407929251525 0.6416358149 0.512791931198} O3 8 1
8 {} {0.406639094891 0.648152184113 0.329978643847} O4 9 1
14 {} {0.226784691836 0.505655675468 0.555587289825} Si3 10 1
7 {} {0.207160201196 0.426940721873 0.587031808003} N1 11 1
14 {} {0.171142246207 0.422675867728 0.678930761803} Si4 12 1
14 {} {0.222773654997 0.356946647894 0.522996402184} Si5 13 1
7 {} {0.223976428974 0.369239496904 0.409358958205} N2 14 1
7 {} {0.12359684393 0.47096239414 0.671802392886} N3 15 1
1 {} {0.350659839098 0.514650333501 0.371890507032} H1 16 1
1 {} {0.326151886291 0.592213955956 0.399884951827} H2 17 1
1 {} {0.359109740024 0.614478601815 0.595114797194} H3 18 1
1 {} {0.360371636973 0.405080684364 0.519876558725} H4 19 1
1 {} {0.351036408072 0.428013002236 0.632879456151} H5 20 1
1 {} {0.399398577219 0.457090294419 0.576627933509} H6 21 1
1 {} {0.487191706432 0.567268236828 0.410680029429} H7 22 1
1 {} {0.453995905058 0.509034451254 0.350481705433} H8 23 1
1 {} {0.456384513537 0.505455230703 0.468868375472} H9 24 1
1 {} {0.4331790266 0.670994067884 0.523072116487} H10 25 1
1 {} {0.435012584924 0.656874072363 0.301107704142} H11 26 1
1 {} {0.221042976582 0.551348976786 0.633574026163} H12 27 1
1 {} {0.201306791836 0.532277493497 0.477861964769} H13 28 1
1 {} {0.158281011486 0.350990699165 0.687093774917} H14 29 1
1 {} {0.194203529063 0.447057041249 0.760793666665} H15 30 1
1 {} {0.268694496574 0.335290266808 0.547950183793} H16 31 1
1 {} {0.189640330938 0.303570674914 0.543380652276} H17 32 1
1 {} {0.250418556395 0.393341350608 0.381501674453} H18 33 1
1 {} {0.195497131899 0.380041799527 0.375473526638} H19 34 1
1 {} {0.123448290857 0.518605839304 0.695473136034} H20 35 1
1 {} {0.100960690449 0.465030691017 0.621985170987} H21 36 1
6 {} {0.590859608432 0.327616884072 0.309984107213} C4 37 1
14 {} {0.586075621269 0.361089425124 0.426990098907} Si6 38 1
14 {} {0.574913752516 0.238546768666 0.292023299483} Si7 39 1
8 {} {0.614700904837 0.311989406409 0.495030646416} O5 40 1
8 {} {0.608741277897 0.436094390034 0.431991620683} O6 41 1
6 {} {0.526828659452 0.369878201147 0.463590566535} C5 42 1
6 {} {0.514029407359 0.227851040828 0.268428846982} C6 43 1
8 {} {0.590150020062 0.199860876939 0.386296719744} O7 44 1
8 {} {0.604673963477 0.201671591966 0.212091240164} O8 45 1
14 {} {0.652457212991 0.480980674507 0.460683831981} Si8 46 1
7 {} {0.636973301734 0.562073925643 0.487735773085} N4 47 1
14 {} {0.643263731154 0.589691763309 0.598014701476} Si9 48 1
14 {} {0.613054212993 0.615701087403 0.408408329676} Si10 49 1
7 {} {0.624077429252 0.596407421987 0.299260096725} N5 50 1
7 {} {0.696370879236 0.609663165753 0.634536216749} N6 51 1
1 {} {0.571442918353 0.359388817324 0.264022117865} H22 52 1
1 {} {0.626194554959 0.33273836334 0.29040134567} H23 53 1
1 {} {0.613174822657 0.264920827003 0.477474867879} H24 54 1
1 {} {0.507716479205 0.402856322339 0.419008124897} H25 55 1
1 {} {0.525596165309 0.391328034844 0.531105210651} H26 56 1
1 {} {0.510028471644 0.32097766901 0.465908491676} H27 57 1
1 {} {0.50472627175 0.174733316264 0.263820823849} H28 58 1
1 {} {0.504729933373 0.252017339214 0.20509548231} H29 59 1
1 {} {0.493611340194 0.250718706878 0.321214104279} H30 60 1
1 {} {0.59294115924 0.15154729091 0.384015953115} H31 61 1
1 {} {0.591432816346 0.197523390143 0.153471164969} H32 62 1
1 {} {0.674481861376 0.452247175304 0.54129725092} H33 63 1
1 {} {0.684140436912 0.480615154974 0.383966894917} H34 64 1
1 {} {0.615930702783 0.651807253125 0.604639418903} H35 65 1
1 {} {0.627078074053 0.536761470351 0.659690930356} H36 66 1
1 {} {0.56323216728 0.614999745986 0.416322990006} H37 67 1
1 {} {0.630030480785 0.684569664933 0.426655896155} H38 68 1
1 {} {0.607711811496 0.558049317788 0.268975423687} H39 69 1
1 {} {0.655793753039 0.599999745654 0.274736489639} H40 70 1
1 {} {0.717550569313 0.57239811402 0.652203452528} H41 71 1
1 {} {0.713161424729 0.648585783038 0.607247977187} H42 72 1
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