./iterations/neb0_image02_iter21.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 {} {0.351086530984 0.555072861527 0.42195397651} C1 1 1
14 {} {0.332009855565 0.522018804318 0.532989630145} Si1 2 1
14 {} {0.406313144787 0.597223894581 0.417726525513} Si2 3 1
8 {} {0.335344185416 0.582262501647 0.608252089878} O1 4 1
8 {} {0.279111901759 0.499998279391 0.524968083809} O2 5 1
6 {} {0.36368852167 0.446072384747 0.568372129264} C2 6 1
6 {} {0.455417051091 0.539630147135 0.411445904261} C3 7 1
8 {} {0.407931023348 0.641644865795 0.512796294484} O3 8 1
8 {} {0.406644966018 0.648167182281 0.32997584608} O4 9 1
14 {} {0.226765472286 0.505645767353 0.555589687407} Si3 10 1
7 {} {0.207157979148 0.426934085468 0.58702696754} N1 11 1
14 {} {0.17114406448 0.422684077868 0.67892797434} Si4 12 1
14 {} {0.222769877119 0.356949382844 0.52298095338} Si5 13 1
7 {} {0.223980132383 0.369222548156 0.409339436028} N2 14 1
7 {} {0.123596201529 0.470964897311 0.671825945518} N3 15 1
1 {} {0.350659928227 0.514649979709 0.37189746434} H1 16 1
1 {} {0.326146897967 0.592208465109 0.399884122758} H2 17 1
1 {} {0.359103818787 0.614465875551 0.595111655793} H3 18 1
1 {} {0.360369565147 0.405074234302 0.519882505715} H4 19 1
1 {} {0.35103736836 0.428005159034 0.63288621625} H5 20 1
1 {} {0.399394880509 0.457089741951 0.576626985065} H6 21 1
1 {} {0.487189801815 0.567271570413 0.41068467213} H7 22 1
1 {} {0.453996236764 0.509038570392 0.350485829419} H8 23 1
1 {} {0.456384268171 0.505458746499 0.468869449883} H9 24 1
1 {} {0.433170253948 0.671000439943 0.523067667434} H10 25 1
1 {} {0.435002136556 0.656866744264 0.301111655379} H11 26 1
1 {} {0.221044659044 0.551348368172 0.633563612452} H12 27 1
1 {} {0.201308325169 0.532281855379 0.477852488178} H13 28 1
1 {} {0.158287220028 0.350998128841 0.687106613936} H14 29 1
1 {} {0.194209316327 0.447072489688 0.760794015802} H15 30 1
1 {} {0.268695235866 0.335289853264 0.547936531864} H16 31 1
1 {} {0.189639821755 0.303570652405 0.543378793624} H17 32 1
1 {} {0.250414344406 0.39333943663 0.381493371352} H18 33 1
1 {} {0.195490693951 0.380049415596 0.375465702153} H19 34 1
1 {} {0.123451224782 0.518610849136 0.695465929635} H20 35 1
1 {} {0.100960096201 0.46503076122 0.621987001418} H21 36 1
6 {} {0.590861596684 0.327626874063 0.309983657242} C4 37 1
14 {} {0.586072207935 0.361066632504 0.427002052741} Si6 38 1
14 {} {0.574915802102 0.238547192826 0.292015943559} Si7 39 1
8 {} {0.614698321605 0.311994322807 0.495037089857} O5 40 1
8 {} {0.608752102095 0.436099803184 0.43199706468} O6 41 1
6 {} {0.5268298375 0.369883954104 0.463587214272} C5 42 1
6 {} {0.514033464353 0.227846675668 0.268430780465} C6 43 1
8 {} {0.590144457023 0.199865401224 0.386288231553} O7 44 1
8 {} {0.604685795942 0.201704968356 0.212095101627} O8 45 1
14 {} {0.652456400967 0.480960640936 0.460700488718} Si8 46 1
7 {} {0.636965281187 0.562071374669 0.487688622981} N4 47 1
14 {} {0.64332466172 0.589724901446 0.598069250572} Si9 48 1
14 {} {0.613037444193 0.615706754927 0.408534663582} Si10 49 1
7 {} {0.624141445963 0.596313997051 0.299200419449} N5 50 1
7 {} {0.696289038351 0.60966367007 0.634591912322} N6 51 1
1 {} {0.571444237325 0.359395885444 0.264022462489} H22 52 1
1 {} {0.626195375609 0.332741393169 0.290404459746} H23 53 1
1 {} {0.613178013169 0.264904086379 0.477466093679} H24 54 1
1 {} {0.507718951317 0.402862185339 0.419005188974} H25 55 1
1 {} {0.525594113209 0.391329225107 0.531105770345} H26 56 1
1 {} {0.51002667133 0.32098373083 0.465898308037} H27 57 1
1 {} {0.50473715854 0.174724225061 0.263828861264} H28 58 1
1 {} {0.504722595191 0.252009249784 0.205101500305} H29 59 1
1 {} {0.493616799777 0.250702960502 0.321224606955} H30 60 1
1 {} {0.592957831156 0.151552371076 0.384001597026} H31 61 1
1 {} {0.591432621255 0.197529290558 0.153456893713} H32 62 1
1 {} {0.674484354995 0.452252773972 0.54129633394} H33 63 1
1 {} {0.684132988048 0.480618281094 0.38395994698} H34 64 1
1 {} {0.615926478056 0.651795013444 0.604608455437} H35 65 1
1 {} {0.627074721396 0.536755825538 0.659641724797} H36 66 1
1 {} {0.563222109491 0.61502336084 0.416310639642} H37 67 1
1 {} {0.630033738471 0.684567052791 0.426608480458} H38 68 1
1 {} {0.607700506418 0.558088738152 0.268974257783} H39 69 1
1 {} {0.655743495661 0.59999321189 0.274773313486} H40 70 1
1 {} {0.717574131006 0.572369329646 0.652219851424} H41 71 1
1 {} {0.713190220542 0.648637955547 0.607231330241} H42 72 1
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