./iterations/neb0_image02_iter6.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
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 {} {0.360005864472 0.551474908515 0.413641565969} C1 1 1
14 {} {0.336646808433 0.524812877759 0.524368840092} Si1 2 1
14 {} {0.421651064899 0.562302599812 0.409276445443} Si2 3 1
8 {} {0.349864031504 0.58158393497 0.600359655936} O1 4 1
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8 {} {0.434585677208 0.597288537084 0.508138992681} O3 8 1
8 {} {0.434673004219 0.6136687431 0.326138206848} O4 9 1
14 {} {0.231270299388 0.527478744775 0.558658051952} Si3 10 1
7 {} {0.211630285271 0.449490684375 0.592801220402} N1 11 1
14 {} {0.189160455069 0.441201288664 0.700190802199} Si4 12 1
14 {} {0.212158304608 0.381837030401 0.517747613086} Si5 13 1
7 {} {0.206120335182 0.403167027133 0.407396494891} N2 14 1
7 {} {0.138735833884 0.480224946454 0.720348750086} N3 15 1
1 {} {0.349980967665 0.515726839572 0.361358421174} H1 16 1
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1 {} {0.443293735276 0.457792764592 0.331590116766} H8 23 1
1 {} {0.446749133635 0.446499614836 0.44909447117} H9 24 1
1 {} {0.465330551211 0.611880682469 0.514343405388} H10 25 1
1 {} {0.466649499141 0.616428123493 0.314845743193} H11 26 1
1 {} {0.229587435884 0.571790634257 0.63888775505} H12 27 1
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1 {} {0.255481730311 0.345267617459 0.523552229649} H16 31 1
1 {} {0.174597250551 0.337093494255 0.544322297976} H17 32 1
1 {} {0.233105474854 0.417634661331 0.371237783041} H18 33 1
1 {} {0.178082558396 0.426370762659 0.385098923271} H19 34 1
1 {} {0.137956454919 0.529814903466 0.735404999771} H20 35 1
1 {} {0.110691080052 0.466482323226 0.686831430464} H21 36 1
6 {} {0.630824976415 0.641174261569 0.349323269117} C4 37 1
14 {} {0.587745252545 0.578709327634 0.386771236603} Si6 38 1
14 {} {0.625162960838 0.729700297271 0.385825254915} Si7 39 1
8 {} {0.537454798624 0.614359105542 0.381293377917} O5 40 1
8 {} {0.58849009377 0.514162798351 0.319595050522} O6 41 1
6 {} {0.598781721112 0.546726208199 0.501612136876} C5 42 1
6 {} {0.643337061729 0.746732803168 0.503010986134} C6 43 1
8 {} {0.570332592424 0.744508112296 0.374277093267} O7 44 1
8 {} {0.653027106842 0.7789920336 0.316000821711} O8 45 1
14 {} {0.582098500445 0.453868842505 0.24666255016} Si8 46 1
7 {} {0.594598613712 0.375724943337 0.289698663161} N4 47 1
14 {} {0.550974619636 0.319423032198 0.313214344463} Si9 48 1
14 {} {0.649164035229 0.350376781844 0.314987642509} Si10 49 1
7 {} {0.690253172144 0.396523668241 0.26383317243} N5 50 1
7 {} {0.52698618715 0.276229984823 0.226302787925} N6 51 1
1 {} {0.664226302907 0.622864241913 0.368109753397} H22 52 1
1 {} {0.630086409629 0.641995188392 0.275679911228} H23 53 1
1 {} {0.53973177188 0.663414205843 0.376396607982} H24 54 1
1 {} {0.630898638041 0.520169145336 0.504324001432} H25 55 1
1 {} {0.572686640715 0.511188082365 0.521962674132} H26 56 1
1 {} {0.599702298845 0.587253121324 0.551227410408} H27 57 1
1 {} {0.638074803625 0.799514583211 0.521211797452} H28 58 1
1 {} {0.678930977408 0.735343474984 0.512410647247} H29 59 1
1 {} {0.62435528162 0.716189358624 0.550790932291} H30 60 1
1 {} {0.559902905681 0.790372036115 0.371427304726} H31 61 1
1 {} {0.670864389304 0.814754738022 0.34110006044} H32 62 1
1 {} {0.534457498472 0.451900125835 0.217992124403} H33 63 1
1 {} {0.611316562264 0.469884398603 0.169208956713} H34 64 1
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1 {} {0.652945119149 0.278966698231 0.286877250383} H38 68 1
1 {} {0.703446090686 0.437386635026 0.294152734289} H39 69 1
1 {} {0.693196869643 0.39954908222 0.196469559929} H40 70 1
1 {} {0.504912758376 0.299620264876 0.185334147555} H41 71 1
1 {} {0.544499684412 0.240884443732 0.192397847032} H42 72 1
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