iterations/neb0_image08_iter10.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_image08
@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 {} {0.362336111337 0.525664393167 0.42359022305} C1 1 1
14 {} {0.34327254472 0.492645749377 0.534581713677} Si1 2 1
14 {} {0.41638245023 0.570132137416 0.418728206396} Si2 3 1
8 {} {0.346598192425 0.552848246287 0.60982035826} O1 4 1
8 {} {0.290360032493 0.47053189065 0.526654745528} O2 5 1
6 {} {0.374962404824 0.416679921937 0.569982027479} C2 6 1
6 {} {0.464453028548 0.51521449321 0.411722659683} C3 7 1
8 {} {0.419156930332 0.612220080261 0.514811095047} O3 8 1
8 {} {0.417520303349 0.619543875516 0.330655114316} O4 9 1
14 {} {0.238058626525 0.476206487581 0.557250100828} Si3 10 1
7 {} {0.21843911131 0.397524620757 0.588705544902} N1 11 1
14 {} {0.182383363604 0.393246450504 0.680550647417} Si4 12 1
14 {} {0.234028708819 0.327502636653 0.524669229882} Si5 13 1
7 {} {0.235250959648 0.339826068759 0.411071650499} N2 14 1
7 {} {0.134851736244 0.441511447078 0.673404892496} N3 15 1
1 {} {0.361914843652 0.485234117934 0.373487576106} H1 16 1
1 {} {0.337412877952 0.562732987992 0.401547768944} H2 17 1
1 {} {0.370350616468 0.585064427684 0.596775273439} H3 18 1
1 {} {0.371624158431 0.375661104269 0.521507903497} H4 19 1
1 {} {0.362299162002 0.39859945558 0.634484012956} H5 20 1
1 {} {0.410682526232 0.427637349389 0.578299350117} H6 21 1
1 {} {0.497858915478 0.537991598329 0.412684359394} H7 22 1
1 {} {0.464081486208 0.482055228139 0.353108587087} H8 23 1
1 {} {0.46465365518 0.482281696016 0.469573844893} H9 24 1
1 {} {0.444421103906 0.641523679379 0.52463251967} H10 25 1
1 {} {0.446223531486 0.627562155653 0.302993452608} H11 26 1
1 {} {0.232302082262 0.521916374458 0.635233266734} H12 27 1
1 {} {0.212568273138 0.502829267513 0.479523032323} H13 28 1
1 {} {0.169520793958 0.321514440739 0.688692882932} H14 29 1
1 {} {0.205438622587 0.417564708921 0.76243900054} H15 30 1
1 {} {0.279947514893 0.305848535016 0.549630890215} H16 31 1
1 {} {0.200894369686 0.274131703068 0.545038213532} H17 32 1
1 {} {0.261669962518 0.363910955791 0.383202240877} H18 33 1
1 {} {0.206770809698 0.350579121864 0.377152162557} H19 34 1
1 {} {0.134693770892 0.489113420892 0.697121019556} H20 35 1
1 {} {0.112209293081 0.435583414003 0.623592426373} H21 36 1
6 {} {0.579607457708 0.357064537231 0.308328215097} C4 37 1
14 {} {0.575589215787 0.389514881833 0.42580245821} Si6 38 1
14 {} {0.563669894288 0.267959023583 0.290453496031} Si7 39 1
8 {} {0.604199413828 0.341246910439 0.49352644946} O5 40 1
8 {} {0.597211402453 0.465503950921 0.430191181779} O6 41 1
6 {} {0.518256447349 0.394253186462 0.464197170712} C5 42 1
6 {} {0.502756110036 0.257347940582 0.266790166862} C6 43 1
8 {} {0.578955692094 0.229279376719 0.384671673273} O7 44 1
8 {} {0.593349473003 0.231037797947 0.210515412569} O8 45 1
14 {} {0.641213331395 0.510307065491 0.459027542184} Si8 46 1
7 {} {0.625588147517 0.591416213894 0.485874557696} N4 47 1
14 {} {0.63234703721 0.619316190759 0.596521402893} Si9 48 1
14 {} {0.601781192644 0.645200169162 0.407423313962} Si10 49 1
7 {} {0.612849181091 0.625985170978 0.297343214837} N5 50 1
7 {} {0.68502763319 0.639007884502 0.632762871447} N6 51 1
1 {} {0.56018245189 0.388808525895 0.262274924228} H22 52 1
1 {} {0.614930829121 0.362196154571 0.28871044263} H23 53 1
1 {} {0.601947236278 0.294304585592 0.475928252028} H24 54 1
1 {} {0.500550633926 0.42460987653 0.417069748584} H25 55 1
1 {} {0.514756959204 0.419857739072 0.52825731348} H26 56 1
1 {} {0.49898837043 0.348210125413 0.464980426654} H27 57 1
1 {} {0.493422434995 0.204242981171 0.262166290583} H28 58 1
1 {} {0.493494738054 0.281478296598 0.20340105948} H29 59 1
1 {} {0.482344764687 0.280195916295 0.319587186919} H30 60 1
1 {} {0.581631270818 0.180944603733 0.382443266864} H31 61 1
1 {} {0.580160465938 0.226934128626 0.151801686695} H32 62 1
1 {} {0.663223868706 0.481680053166 0.539708673} H33 63 1
1 {} {0.672909016965 0.510083175314 0.382339892727} H34 64 1
1 {} {0.604623936297 0.681270335782 0.603014073406} H35 65 1
1 {} {0.615788341115 0.566205387913 0.658061147907} H36 66 1
1 {} {0.551981318473 0.644307950986 0.414595693532} H37 67 1
1 {} {0.618734106386 0.714069821088 0.425054648163} H38 68 1
1 {} {0.596508667791 0.587360627463 0.267211185092} H39 69 1
1 {} {0.644551839096 0.629472254962 0.27303062829} H40 70 1
1 {} {0.706256432496 0.60186812144 0.650510922486} H41 71 1
1 {} {0.701849783 0.677951105533 0.605591705571} H42 72 1
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