./iterations/neb0_image03_iter46.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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.361895483722 0.556208730908 0.413197693781} C1 1 1
14 {} {0.338637727414 0.529799316757 0.523906359632} Si1 2 1
14 {} {0.423478999213 0.566767001943 0.409048463431} Si2 3 1
8 {} {0.35181317826 0.586461541226 0.599870838143} O1 4 1
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6 {} {0.454487603967 0.486283237493 0.394367592966} C3 7 1
8 {} {0.436526703735 0.60161199878 0.508027940426} O3 8 1
8 {} {0.436559497843 0.618230316904 0.326034478053} O4 9 1
14 {} {0.233296500792 0.532680760933 0.558103945846} Si3 10 1
7 {} {0.213712397024 0.454564659424 0.59225937378} N1 11 1
14 {} {0.191234927875 0.446220844039 0.699746023025} Si4 12 1
14 {} {0.214144277508 0.386818566006 0.51714690358} Si5 13 1
7 {} {0.208048264237 0.407892308571 0.406677004335} N2 14 1
7 {} {0.140789499183 0.485227937747 0.720004385995} N3 15 1
1 {} {0.351947026385 0.520445184983 0.36088501582} H1 16 1
1 {} {0.346396989199 0.604592755947 0.396095186307} H2 17 1
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1 {} {0.348780257489 0.405886491961 0.509259275756} H4 19 1
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1 {} {0.444936452425 0.46192436679 0.331376624699} H8 23 1
1 {} {0.448144571698 0.450913859398 0.449017023402} H9 24 1
1 {} {0.467426514714 0.615573061944 0.513901666399} H10 25 1
1 {} {0.468537202785 0.618988797103 0.31407215826} H11 26 1
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1 {} {0.204261003878 0.560763613225 0.48652595492} H13 28 1
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1 {} {0.257395332388 0.350130147284 0.523024364391} H16 31 1
1 {} {0.176492177871 0.342324641184 0.543883839265} H17 32 1
1 {} {0.235093412546 0.422673266449 0.37077571871} H18 33 1
1 {} {0.180108393857 0.431446065801 0.38467774568} H19 34 1
1 {} {0.140002162584 0.534862078742 0.734906112172} H20 35 1
1 {} {0.112757724221 0.4713891913 0.686606589226} H21 36 1
6 {} {0.629086490343 0.6363588259 0.349690761418} C4 37 1
14 {} {0.585943028727 0.574010919342 0.387118433784} Si6 38 1
14 {} {0.623344385114 0.724865269763 0.386228491026} Si7 39 1
8 {} {0.536100159208 0.611108887001 0.381692603473} O5 40 1
8 {} {0.586265779914 0.509621068159 0.320095743988} O6 41 1
6 {} {0.596658978608 0.542027964864 0.502082737522} C5 42 1
6 {} {0.641379991896 0.741811464247 0.503467441351} C6 43 1
8 {} {0.568461593514 0.739718383714 0.374876383653} O7 44 1
8 {} {0.651008163064 0.774251228053 0.316302120706} O8 45 1
14 {} {0.580093637227 0.448989032145 0.247183921522} Si8 46 1
7 {} {0.592669312937 0.370925586472 0.290276468538} N4 47 1
14 {} {0.54908370397 0.314527738498 0.31354745466} Si9 48 1
14 {} {0.647254311577 0.345610443899 0.315424685296} Si10 49 1
7 {} {0.688228599756 0.391881616093 0.264186109608} N5 50 1
7 {} {0.525222428881 0.271502986745 0.226511195779} N6 51 1
1 {} {0.662527423114 0.618086938413 0.368220853114} H22 52 1
1 {} {0.628130810866 0.637125664814 0.276052768477} H23 53 1
1 {} {0.539153974401 0.660152696213 0.377342097119} H24 54 1
1 {} {0.628731371718 0.515350586606 0.505174978779} H25 55 1
1 {} {0.570458150122 0.506600261031 0.522275149831} H26 56 1
1 {} {0.597511570463 0.582605524564 0.551617135683} H27 57 1
1 {} {0.636118171875 0.794580691297 0.521670608066} H28 58 1
1 {} {0.676958583841 0.730357321945 0.512899677475} H29 59 1
1 {} {0.622348566623 0.711245631989 0.551147619242} H30 60 1
1 {} {0.557791650858 0.785426828496 0.371849037363} H31 61 1
1 {} {0.668898815576 0.809934593745 0.341300184355} H32 62 1
1 {} {0.532501007847 0.44688352436 0.218332442471} H33 63 1
1 {} {0.609346660417 0.465064284648 0.169787719097} H34 64 1
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1 {} {0.656537331608 0.351720766836 0.41289737708} H37 67 1
1 {} {0.651119979334 0.274218447635 0.287272048436} H38 68 1
1 {} {0.701658866048 0.432522160425 0.294500902785} H39 69 1
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1 {} {0.502855711255 0.294557468757 0.185740365994} H41 71 1
1 {} {0.542601071747 0.23591989352 0.192599462106} H42 72 1
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