iterations/neb0_image08_iter18.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
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@data
6 {} {0.362083717752 0.52564574157 0.423562216363} C1 1 1
14 {} {0.343352443641 0.492324228946 0.534708672171} Si1 2 1
14 {} {0.416208584851 0.571026034344 0.418070839422} Si2 3 1
8 {} {0.34669029124 0.552581098525 0.609867637319} O1 4 1
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6 {} {0.375072273649 0.416411186945 0.569972459155} C2 6 1
6 {} {0.464835097969 0.515442714392 0.411483255399} C3 7 1
8 {} {0.418762286581 0.612840163976 0.51554617393} O3 8 1
8 {} {0.416780393356 0.621252541707 0.329239557458} O4 9 1
14 {} {0.238130991406 0.475903287759 0.557250880492} Si3 10 1
7 {} {0.218531125841 0.397224804902 0.588706168484} N1 11 1
14 {} {0.182507749654 0.39293073272 0.680587450484} Si4 12 1
14 {} {0.234125866667 0.327215203391 0.524690293545} Si5 13 1
7 {} {0.235354164156 0.339513378286 0.411063994478} N2 14 1
7 {} {0.13496009803 0.441224984639 0.673444425559} N3 15 1
1 {} {0.36213528033 0.485181858541 0.373522843274} H1 16 1
1 {} {0.33703188791 0.562410284101 0.401454354434} H2 17 1
1 {} {0.370455317092 0.584790254065 0.596824320713} H3 18 1
1 {} {0.37172815732 0.375379469117 0.521540160721} H4 19 1
1 {} {0.362402804774 0.398333368774 0.634490101872} H5 20 1
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1 {} {0.497872721649 0.539295639714 0.412584862898} H7 22 1
1 {} {0.463266885166 0.482648951104 0.35229268934} H8 23 1
1 {} {0.463328429695 0.483508773156 0.470661721412} H9 24 1
1 {} {0.444568202523 0.641415441807 0.524693152644} H10 25 1
1 {} {0.446214350694 0.627381384698 0.303199386416} H11 26 1
1 {} {0.232413731894 0.521635430333 0.635222820947} H12 27 1
1 {} {0.212677015651 0.50255568531 0.479520398428} H13 28 1
1 {} {0.169638423539 0.321253168333 0.688741117144} H14 29 1
1 {} {0.205557152172 0.417326797574 0.762453799338} H15 30 1
1 {} {0.280060568293 0.305568517407 0.549631217532} H16 31 1
1 {} {0.200986540136 0.273841301379 0.545056199682} H17 32 1
1 {} {0.261770298572 0.363638269925 0.383210929517} H18 33 1
1 {} {0.206865565441 0.35031487857 0.377160956858} H19 34 1
1 {} {0.134798395621 0.488851870717 0.697123631089} H20 35 1
1 {} {0.112310800773 0.435307323937 0.623608718467} H21 36 1
6 {} {0.579696638828 0.357231735261 0.308072119648} C4 37 1
14 {} {0.576538747753 0.388956337497 0.426027095279} Si6 38 1
14 {} {0.563558915063 0.2681874766 0.290374539356} Si7 39 1
8 {} {0.605683148294 0.340817840321 0.493948507553} O5 40 1
8 {} {0.597184902692 0.465736836525 0.430304871002} O6 41 1
6 {} {0.517978100326 0.393048574555 0.464394521142} C5 42 1
6 {} {0.502662199843 0.257639229332 0.266786283348} C6 43 1
8 {} {0.578859816694 0.229567245382 0.384608052786} O7 44 1
8 {} {0.593267014064 0.231351374753 0.210443056788} O8 45 1
14 {} {0.640947240086 0.510519148274 0.459026962332} Si8 46 1
7 {} {0.625504234262 0.591627935815 0.485984671512} N4 47 1
14 {} {0.632048802688 0.619464197328 0.596503711819} Si9 48 1
14 {} {0.601658103343 0.645422833995 0.407060544922} Si10 49 1
7 {} {0.61282071152 0.62601728977 0.297410430191} N5 50 1
7 {} {0.684859513372 0.639373230208 0.632953484672} N6 51 1
1 {} {0.560115633234 0.389115864653 0.262518090825} H22 52 1
1 {} {0.614888381513 0.362432586647 0.288368357135} H23 53 1
1 {} {0.602058349477 0.293932876793 0.476151335217} H24 54 1
1 {} {0.501235532897 0.423533873079 0.414873182252} H25 55 1
1 {} {0.515023094667 0.419467297574 0.529362960863} H26 56 1
1 {} {0.499462376178 0.345599125373 0.466558953827} H27 57 1
1 {} {0.493342052374 0.204507123127 0.26217524417} H28 58 1
1 {} {0.493374258053 0.281741489269 0.203412167191} H29 59 1
1 {} {0.482247403161 0.28044718366 0.319608207674} H30 60 1
1 {} {0.581559154477 0.1812351497 0.382417137548} H31 61 1
1 {} {0.580050252513 0.227216696207 0.151760147504} H32 62 1
1 {} {0.663082991278 0.481932820834 0.539618184953} H33 63 1
1 {} {0.672747803126 0.51031002676 0.382333573846} H34 64 1
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1 {} {0.615710181091 0.566515616744 0.657900434754} H36 66 1
1 {} {0.551859226624 0.644601894347 0.414574204628} H37 67 1
1 {} {0.618612664562 0.714325382608 0.425003974402} H38 68 1
1 {} {0.596417188627 0.587796637606 0.267273786534} H39 69 1
1 {} {0.644315607691 0.629762353991 0.273156312756} H40 70 1
1 {} {0.706261671922 0.60201741131 0.650576726382} H41 71 1
1 {} {0.701865320279 0.678428466241 0.605529872658} H42 72 1
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