./iterations/neb0_image08_iter16.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_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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6 {} {0.371497152384 0.580871270601 0.411343040382} C1 1 1
14 {} {0.348339465493 0.554164010835 0.521820648864} Si1 2 1
14 {} {0.433044834729 0.590019406623 0.406908941621} Si2 3 1
8 {} {0.361397921083 0.610841991959 0.597891382668} O1 4 1
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8 {} {0.445953791032 0.626491749595 0.505097487346} O3 8 1
8 {} {0.445401822784 0.643304509742 0.325104741542} O4 9 1
14 {} {0.242962390845 0.556903276708 0.556143784103} Si3 10 1
7 {} {0.223198352985 0.478753729852 0.590390812577} N1 11 1
14 {} {0.200760524683 0.470465403887 0.69789125836} Si4 12 1
14 {} {0.223766951625 0.41106871478 0.515278886686} Si5 13 1
7 {} {0.217683495956 0.432308814072 0.404843353687} N2 14 1
7 {} {0.150304851368 0.509514402541 0.718010471224} N3 15 1
1 {} {0.36161085771 0.545042792254 0.359065603531} H1 16 1
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1 {} {0.452884676172 0.484353830803 0.327123182255} H8 23 1
1 {} {0.455842963495 0.472084137538 0.449354337515} H9 24 1
1 {} {0.476752048629 0.640524590623 0.512553443666} H10 25 1
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1 {} {0.267051466804 0.374535554076 0.521138904987} H16 31 1
1 {} {0.186178922623 0.366432897594 0.541878857585} H17 32 1
1 {} {0.244691063616 0.446932087087 0.36881444601} H18 33 1
1 {} {0.189683385719 0.455693252081 0.382695755987} H19 34 1
1 {} {0.149546667766 0.559150147121 0.732982311681} H20 35 1
1 {} {0.122274566913 0.495763868819 0.684400031359} H21 36 1
6 {} {0.620593195217 0.612301626282 0.351426182136} C4 37 1
14 {} {0.579260726932 0.549675378511 0.389253650573} Si6 38 1
14 {} {0.613782403197 0.700270116467 0.388303020749} Si7 39 1
8 {} {0.532237724406 0.59290076387 0.383471738619} O5 40 1
8 {} {0.576966637609 0.485243342535 0.321855221849} O6 41 1
6 {} {0.587432850404 0.517293008227 0.504343635742} C5 42 1
6 {} {0.631727729088 0.717479168347 0.505478050975} C6 43 1
8 {} {0.558805205917 0.715865264034 0.376747307089} O7 44 1
8 {} {0.641341359267 0.749802371129 0.318408262109} O8 45 1
14 {} {0.57051563474 0.424652569236 0.249224133206} Si8 46 1
7 {} {0.582987502518 0.346500896838 0.292165696477} N4 47 1
14 {} {0.539376794126 0.290164847477 0.315669644672} Si9 48 1
14 {} {0.637588585116 0.321140965879 0.317374388312} Si10 49 1
7 {} {0.678652791065 0.367314991085 0.266226317456} N5 50 1
7 {} {0.515470476539 0.247042290297 0.228713413383} N6 51 1
1 {} {0.653484188628 0.593896997696 0.370175959133} H22 52 1
1 {} {0.618580513683 0.612659564883 0.278023489222} H23 53 1
1 {} {0.532077519629 0.642333983782 0.379019398209} H24 54 1
1 {} {0.619379010814 0.4907460997 0.507140066788} H25 55 1
1 {} {0.561038735085 0.482006212286 0.524132481205} H26 56 1
1 {} {0.588121537034 0.558011960764 0.553611419792} H27 57 1
1 {} {0.626491176421 0.77024662863 0.5236318753} H28 58 1
1 {} {0.667319268811 0.706050481756 0.514786498413} H29 59 1
1 {} {0.612783028534 0.686900206333 0.553229624099} H30 60 1
1 {} {0.548296621182 0.76155740237 0.373757943192} H31 61 1
1 {} {0.659270314652 0.785497944201 0.343428152936} H32 62 1
1 {} {0.522823352412 0.422652993418 0.220381802294} H33 63 1
1 {} {0.599731438148 0.440652065326 0.171719169187} H34 64 1
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1 {} {0.641392210297 0.249707242997 0.289263966333} H38 68 1
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1 {} {0.493297515706 0.270284809059 0.18776051343} H41 71 1
1 {} {0.532917435031 0.211582229652 0.194771313999} H42 72 1
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