./iterations/neb0_image05_iter14.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_image05
@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 {} {0.365833212951 0.565903119298 0.412524895671} C1 1 1
14 {} {0.34243190009 0.539317256095 0.523048877319} Si1 2 1
14 {} {0.427486894729 0.576459966396 0.407968911262} Si2 3 1
8 {} {0.355576003353 0.59602402122 0.599256701319} O1 4 1
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6 {} {0.45800206902 0.495566803289 0.393470971857} C3 7 1
8 {} {0.440125351134 0.61192288994 0.506930371274} O3 8 1
8 {} {0.439801058344 0.628761481602 0.325087682373} O4 9 1
14 {} {0.237022365929 0.542080124903 0.557388163319} Si3 10 1
7 {} {0.217360267536 0.463906464973 0.591576025817} N1 11 1
14 {} {0.194901222601 0.455641998472 0.699025404325} Si4 12 1
14 {} {0.21791896403 0.396228026371 0.516513867411} Si5 13 1
7 {} {0.211842444938 0.417538066767 0.406114458778} N2 14 1
7 {} {0.144458890646 0.494650393636 0.719244198973} N3 15 1
1 {} {0.35573527485 0.5301770076 0.360194842063} H1 16 1
1 {} {0.350130069281 0.614254751065 0.395457655041} H2 17 1
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1 {} {0.352646556105 0.415467617266 0.508538810032} H4 19 1
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1 {} {0.448687132875 0.471688387009 0.330145864852} H8 23 1
1 {} {0.45199796484 0.460274216469 0.448342338247} H9 24 1
1 {} {0.471026116367 0.625760161413 0.513234745974} H10 25 1
1 {} {0.471752017153 0.629368057061 0.31296994508} H11 26 1
1 {} {0.235307046882 0.586228563592 0.637650712613} H12 27 1
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1 {} {0.261184420738 0.359702658155 0.522331404907} H16 31 1
1 {} {0.18032849052 0.351622848746 0.543113236707} H17 32 1
1 {} {0.238823170096 0.432114495123 0.370056570874} H18 33 1
1 {} {0.183808901571 0.440861158662 0.38391972489} H19 34 1
1 {} {0.143687401902 0.544265947015 0.734196893072} H20 35 1
1 {} {0.116419007986 0.480912550151 0.685639189274} H21 36 1
6 {} {0.625279068397 0.626843856325 0.35045890578} C4 37 1
14 {} {0.582622624778 0.564316853069 0.387960500168} Si6 38 1
14 {} {0.619474769989 0.715224484408 0.387049874339} Si7 39 1
8 {} {0.533004379648 0.601528907577 0.382603880099} O5 40 1
8 {} {0.582792576296 0.499789093327 0.320664471296} O6 41 1
6 {} {0.593073820676 0.532298723128 0.502918749677} C5 42 1
6 {} {0.63761949846 0.732270026815 0.504233498751} C6 43 1
8 {} {0.564612685433 0.730076706278 0.375535032844} O7 44 1
8 {} {0.64722937365 0.764554888298 0.317186553815} O8 45 1
14 {} {0.576335033527 0.43932953561 0.247839086751} Si8 46 1
7 {} {0.588948997533 0.361343752405 0.290828985209} N4 47 1
14 {} {0.54519944802 0.304968510192 0.314386408681} Si9 48 1
14 {} {0.643420590351 0.335941697291 0.316166251102} Si10 49 1
7 {} {0.684541776639 0.382167054765 0.264959170472} N5 50 1
7 {} {0.521404233974 0.26199867754 0.227590446971} N6 51 1
1 {} {0.658574946968 0.608457097374 0.369235291949} H22 52 1
1 {} {0.624357546357 0.627539663618 0.276828626305} H23 53 1
1 {} {0.535316154614 0.650770451295 0.378041831647} H24 54 1
1 {} {0.625152839127 0.505759060553 0.505582914436} H25 55 1
1 {} {0.566912616522 0.49681080157 0.52310850711} H26 56 1
1 {} {0.593957988792 0.572848997884 0.552446758314} H27 57 1
1 {} {0.632361121338 0.78503845567 0.522387337604} H28 58 1
1 {} {0.673210746546 0.720874058724 0.513595661234} H29 59 1
1 {} {0.618641342663 0.701731225289 0.55199471034} H30 60 1
1 {} {0.554148860161 0.77591359449 0.372599457585} H31 61 1
1 {} {0.665131283293 0.800283424962 0.342231176788} H32 62 1
1 {} {0.528708132241 0.437449542014 0.219124445048} H33 63 1
1 {} {0.605616399622 0.455460737891 0.170431634215} H34 64 1
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1 {} {0.652723871825 0.342050749041 0.413692830585} H37 67 1
1 {} {0.647239191942 0.26451104 0.288049626294} H38 68 1
1 {} {0.697757841187 0.422962388143 0.295370406091} H39 69 1
1 {} {0.687478035786 0.385084759688 0.197681006253} H40 70 1
1 {} {0.499165614045 0.285103799003 0.186525576488} H41 71 1
1 {} {0.53876415196 0.226421035084 0.193561518632} H42 72 1
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