./iterations/neb0_image08_iter12.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#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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@data
6 {} {0.371519930575 0.580980017635 0.41131063722} C1 1 1
14 {} {0.34843125066 0.554172330615 0.521844350415} Si1 2 1
14 {} {0.433338277094 0.589260803324 0.406908094455} Si2 3 1
8 {} {0.361426452454 0.610924618973 0.597872481242} O1 4 1
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8 {} {0.445930902283 0.626878020964 0.505376203651} O3 8 1
8 {} {0.445401729378 0.64394870991 0.324715980847} O4 9 1
14 {} {0.242997966438 0.556970953529 0.556101638525} Si3 10 1
7 {} {0.223213522395 0.478802441108 0.590404054746} N1 11 1
14 {} {0.20078823472 0.470514371241 0.697899740883} Si4 12 1
14 {} {0.22380794426 0.411133925321 0.515261635348} Si5 13 1
7 {} {0.217701016198 0.432366165803 0.40484722634} N2 14 1
7 {} {0.150321129056 0.509579165969 0.718000617303} N3 15 1
1 {} {0.361660437049 0.545110763461 0.359064084656} H1 16 1
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1 {} {0.453162530444 0.484766959863 0.327291970258} H8 23 1
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1 {} {0.476774751658 0.640608478656 0.512582371861} H10 25 1
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1 {} {0.267071229161 0.374598001426 0.521135579009} H16 31 1
1 {} {0.186198451266 0.366489554316 0.541875814521} H17 32 1
1 {} {0.244719452321 0.44699200619 0.36880195644} H18 33 1
1 {} {0.189705830826 0.455753820803 0.382687143731} H19 34 1
1 {} {0.149571403975 0.559215939643 0.73298250045} H20 35 1
1 {} {0.12229609032 0.495820230779 0.684392865823} H21 36 1
6 {} {0.620243326451 0.612138483481 0.35153177425} C4 37 1
14 {} {0.579693279471 0.549350810944 0.389334949908} Si6 38 1
14 {} {0.613802779433 0.700211469045 0.388301779437} Si7 39 1
8 {} {0.533952099417 0.594458222597 0.383253205254} O5 40 1
8 {} {0.576913915588 0.485245209605 0.321878771226} O6 41 1
6 {} {0.587304834198 0.517280533763 0.504269804883} C5 42 1
6 {} {0.631696591122 0.71741983396 0.505452819171} C6 43 1
8 {} {0.558644177319 0.71561694623 0.376748157343} O7 44 1
8 {} {0.641310323122 0.74970580582 0.318435254291} O8 45 1
14 {} {0.570415099968 0.424503900674 0.249129038479} Si8 46 1
7 {} {0.582999594276 0.34646656108 0.292147039471} N4 47 1
14 {} {0.539308162894 0.290070381263 0.315680540426} Si9 48 1
14 {} {0.637556163695 0.321063532541 0.317414531278} Si10 49 1
7 {} {0.678643486634 0.367269439903 0.266214563734} N5 50 1
7 {} {0.515455104389 0.246984626565 0.228739177688} N6 51 1
1 {} {0.653096705544 0.593757233145 0.370258491763} H22 52 1
1 {} {0.618511164575 0.612611236291 0.278079796099} H23 53 1
1 {} {0.531820517562 0.642482393567 0.379042894854} H24 54 1
1 {} {0.619288352204 0.490802610221 0.506937912468} H25 55 1
1 {} {0.561007148846 0.481928571155 0.524241134774} H26 56 1
1 {} {0.588084342032 0.557951493016 0.55364304511} H27 57 1
1 {} {0.626468869045 0.770179630926 0.523635093497} H28 58 1
1 {} {0.6672932425 0.705988095515 0.514789269703} H29 59 1
1 {} {0.6127630765 0.686839907725 0.553237472158} H30 60 1
1 {} {0.548268966268 0.761389010646 0.373780107212} H31 61 1
1 {} {0.659248961183 0.785433211986 0.343437158698} H32 62 1
1 {} {0.522819020408 0.422588836242 0.220381596638} H33 63 1
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1 {} {0.691893016058 0.408064027271 0.296574266085} H39 69 1
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1 {} {0.493281879586 0.270218251433 0.187768764297} H41 71 1
1 {} {0.532888853457 0.211522945547 0.194763467632} H42 72 1
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