./iterations/neb0_image06_iter45.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_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.367193103433 0.57142214329 0.412291792709} C1 1 1
14 {} {0.344218590275 0.544799229722 0.522902099637} Si1 2 1
14 {} {0.428604565172 0.580619714272 0.40811351527} Si2 3 1
8 {} {0.357589754988 0.601627391037 0.598856987895} O1 4 1
8 {} {0.289406119682 0.54287127324 0.515802166734} O2 5 1
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8 {} {0.442147566232 0.615214295607 0.506926668315} O3 8 1
8 {} {0.440868434763 0.632203306274 0.324704083159} O4 9 1
14 {} {0.238922360845 0.547615369631 0.557047969153} Si3 10 1
7 {} {0.219537331298 0.46956267583 0.591084696145} N1 11 1
14 {} {0.197204710107 0.46133228585 0.698531307932} Si4 12 1
14 {} {0.220082458286 0.401924978131 0.515914018232} Si5 13 1
7 {} {0.214023194804 0.422820249378 0.405365596849} N2 14 1
7 {} {0.146766310314 0.500279322661 0.718935413959} N3 15 1
1 {} {0.357470985253 0.535634590049 0.359892905678} H1 16 1
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1 {} {0.447351731058 0.473982603982 0.330345693153} H8 23 1
1 {} {0.450007671676 0.463108261006 0.447584863299} H9 24 1
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1 {} {0.26337109079 0.365223671525 0.521843387725} H16 31 1
1 {} {0.1824410943 0.357368539985 0.542646906976} H17 32 1
1 {} {0.241050775776 0.43778157702 0.369674232491} H18 33 1
1 {} {0.186099750592 0.446591361091 0.383487884231} H19 34 1
1 {} {0.1460033606 0.549921717702 0.733632769545} H20 35 1
1 {} {0.118773516059 0.486477847732 0.685293761985} H21 36 1
6 {} {0.625015884732 0.621701325477 0.350793131105} C4 37 1
14 {} {0.581661286114 0.560144214019 0.388679059027} Si6 38 1
14 {} {0.618587591667 0.710243837279 0.38722343588} Si7 39 1
8 {} {0.533755092559 0.602102939213 0.383943041623} O5 40 1
8 {} {0.580075840456 0.495984457533 0.320870818301} O6 41 1
6 {} {0.591302535565 0.527017046267 0.503258190012} C5 42 1
6 {} {0.635685407701 0.726858284924 0.504915777756} C6 43 1
8 {} {0.563763557489 0.725800246642 0.376022331869} O7 44 1
8 {} {0.645541727674 0.760098797027 0.317124946281} O8 45 1
14 {} {0.574132803039 0.434695379817 0.248911906388} Si8 46 1
7 {} {0.586607660899 0.356468786076 0.291990708331} N4 47 1
14 {} {0.543063513923 0.299860072691 0.314932735588} Si9 48 1
14 {} {0.641206334213 0.330763534235 0.316809560048} Si10 49 1
7 {} {0.682121414477 0.37694399756 0.265436533312} N5 50 1
7 {} {0.519256554109 0.256526769661 0.22767566749} N6 51 1
1 {} {0.658851308567 0.604463768823 0.367864986659} H22 52 1
1 {} {0.623401764142 0.622190528382 0.277235794679} H23 53 1
1 {} {0.539089775126 0.650862481983 0.379520036533} H24 54 1
1 {} {0.623084782256 0.499756933104 0.507576752232} H25 55 1
1 {} {0.564678627664 0.491951474982 0.522193365004} H26 56 1
1 {} {0.591959763799 0.567305572335 0.553175174832} H27 57 1
1 {} {0.630204876912 0.779586707547 0.523060795542} H28 58 1
1 {} {0.67120941677 0.715368560926 0.514758873564} H29 59 1
1 {} {0.616457270466 0.696164461119 0.552210310465} H30 60 1
1 {} {0.552145899753 0.770949644818 0.372728602914} H31 61 1
1 {} {0.663312372008 0.795826772162 0.342372725924} H32 62 1
1 {} {0.526625860136 0.432197342467 0.219902326664} H33 63 1
1 {} {0.603367389606 0.450172976055 0.171353729048} H34 64 1
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1 {} {0.650554883582 0.336672363787 0.414257227638} H37 67 1
1 {} {0.645047740633 0.259377722126 0.288549125967} H38 68 1
1 {} {0.695804848668 0.417441159242 0.295808254986} H39 69 1
1 {} {0.685235001939 0.379650979461 0.198081925373} H40 70 1
1 {} {0.496818282218 0.279361458205 0.187005205311} H41 71 1
1 {} {0.536618251861 0.22090705598 0.194052126655} H42 72 1
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