iterations/neb0_image02_iter22.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
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@data
6 {} {0.351086814512 0.555071827194 0.421954361195} C1 1 1
14 {} {0.33199802038 0.522005960518 0.532985994402} Si1 2 1
14 {} {0.406309147185 0.597221992305 0.417729832764} Si2 3 1
8 {} {0.335354071713 0.582270678455 0.608256879659} O1 4 1
8 {} {0.279126137472 0.499996136977 0.524962283647} O2 5 1
6 {} {0.363687125185 0.446068691516 0.56837336644} C2 6 1
6 {} {0.455415601943 0.539633056559 0.411447303145} C3 7 1
8 {} {0.407934140062 0.641653001411 0.512801650768} O3 8 1
8 {} {0.406654270973 0.648177315114 0.329967516813} O4 9 1
14 {} {0.226755512424 0.505638664004 0.555591299487} Si3 10 1
7 {} {0.207156552631 0.426933872086 0.587022588351} N1 11 1
14 {} {0.17114472495 0.422690952672 0.678924661803} Si4 12 1
14 {} {0.22276695688 0.356953021353 0.522971578143} Si5 13 1
7 {} {0.223985693213 0.369216005911 0.409330798532} N2 14 1
7 {} {0.123597811148 0.470969152035 0.671841803599} N3 15 1
1 {} {0.350659940609 0.514649810271 0.371901919849} H1 16 1
1 {} {0.326144332828 0.592205442142 0.399884713096} H2 17 1
1 {} {0.359096365923 0.614452974732 0.595111900928} H3 18 1
1 {} {0.360368377443 0.405070325075 0.519885354332} H4 19 1
1 {} {0.351037687196 0.428001076836 0.632890163984} H5 20 1
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1 {} {0.487189825581 0.567274714099 0.410687189769} H7 22 1
1 {} {0.453996301694 0.509040188993 0.350486469932} H8 23 1
1 {} {0.45638388658 0.505460620884 0.46887072378} H9 24 1
1 {} {0.433163235454 0.671001526699 0.523064316281} H10 25 1
1 {} {0.434990437703 0.656861065593 0.301119751746} H11 26 1
1 {} {0.221045127412 0.551348084407 0.633558312571} H12 27 1
1 {} {0.201308685445 0.532283847044 0.477847544567} H13 28 1
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1 {} {0.194212109979 0.447080672622 0.760793080386} H15 30 1
1 {} {0.268695874657 0.335289357311 0.547928538425} H16 31 1
1 {} {0.189639156293 0.303569294658 0.54337768936} H17 32 1
1 {} {0.25040855028 0.393335774656 0.381491758348} H18 33 1
1 {} {0.19548710487 0.38005380946 0.375460617128} H19 34 1
1 {} {0.123452748139 0.518609594121 0.69545970798} H20 35 1
1 {} {0.100959424156 0.465030897964 0.621987498801} H21 36 1
6 {} {0.590862200147 0.32763153724 0.3099834244} C4 37 1
14 {} {0.586071522097 0.361053037869 0.427008385121} Si6 38 1
14 {} {0.574917930019 0.238547761037 0.292010983648} Si7 39 1
8 {} {0.614695980612 0.312006995328 0.495040869324} O5 40 1
8 {} {0.608758623139 0.436105515754 0.432002582021} O6 41 1
6 {} {0.526829621456 0.369885519811 0.463583339942} C5 42 1
6 {} {0.51403455213 0.227843985341 0.268432454998} C6 43 1
8 {} {0.59014204063 0.199870779715 0.386284490841} O7 44 1
8 {} {0.60469368183 0.201723398057 0.212105749735} O8 45 1
14 {} {0.652455544386 0.480951764728 0.460704521949} Si8 46 1
7 {} {0.636959087781 0.562069681384 0.487654690803} N4 47 1
14 {} {0.643382555138 0.589753467561 0.598106686987} Si9 48 1
14 {} {0.613016630825 0.615718350835 0.40864707942} Si10 49 1
7 {} {0.62420030399 0.596260125502 0.299107251854} N5 50 1
7 {} {0.696207511453 0.609648932501 0.634616691607} N6 51 1
1 {} {0.571445554673 0.359399102863 0.264024401605} H22 52 1
1 {} {0.626195302196 0.332743145303 0.290406478502} H23 53 1
1 {} {0.613179491943 0.264886268019 0.477458751334} H24 54 1
1 {} {0.507720957572 0.402865313064 0.419004242315} H25 55 1
1 {} {0.525592923007 0.391330427103 0.53110778077} H26 56 1
1 {} {0.510025492229 0.320986778462 0.465893452455} H27 57 1
1 {} {0.504743154802 0.174718867967 0.263832648233} H28 58 1
1 {} {0.504718664876 0.252004900553 0.205104132979} H29 59 1
1 {} {0.493619908374 0.250694549331 0.321230267885} H30 60 1
1 {} {0.592966939828 0.151551949473 0.383993217368} H31 61 1
1 {} {0.5914308424 0.197531635117 0.153440938518} H32 62 1
1 {} {0.674486450744 0.452254095547 0.541298754513} H33 63 1
1 {} {0.684129384311 0.480619411798 0.383957205562} H34 64 1
1 {} {0.615921223116 0.651795345686 0.604593323191} H35 65 1
1 {} {0.627070743943 0.536745013879 0.659626427302} H36 66 1
1 {} {0.563224742383 0.615034828917 0.4163045476} H37 67 1
1 {} {0.630035481771 0.684562439086 0.426583300984} H38 68 1
1 {} {0.607690853237 0.558107046426 0.268973322266} H39 69 1
1 {} {0.65570018927 0.599989113626 0.274809281721} H40 70 1
1 {} {0.717595560269 0.572344256928 0.65223311073} H41 71 1
1 {} {0.713215126509 0.648682472442 0.607210847794} H42 72 1
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