./iterations/neb0_image08_iter20.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 {} {0.371367448221 0.581250517535 0.411346663904} C1 1 1
14 {} {0.34826457458 0.554328461425 0.521662572991} Si1 2 1
14 {} {0.432610034081 0.590296147044 0.407182251313} Si2 3 1
8 {} {0.361478711766 0.61109834059 0.597976178313} O1 4 1
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8 {} {0.446070000879 0.626253043035 0.504818483818} O3 8 1
8 {} {0.445342830269 0.643142820406 0.325548770177} O4 9 1
14 {} {0.242954289539 0.556980550558 0.556228322624} Si3 10 1
7 {} {0.223305281382 0.479028172174 0.590357575639} N1 11 1
14 {} {0.200830537662 0.470744321841 0.697749174146} Si4 12 1
14 {} {0.223833512389 0.411370826716 0.515240565872} Si5 13 1
7 {} {0.217776601937 0.432420022306 0.404777677368} N2 14 1
7 {} {0.150389871015 0.509731490829 0.718065716867} N3 15 1
1 {} {0.361673789675 0.545234393948 0.359088397426} H1 16 1
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1 {} {0.451668773975 0.483126474679 0.327089139215} H8 23 1
1 {} {0.454443414134 0.470992324638 0.449185932795} H9 24 1
1 {} {0.476726294356 0.640316674582 0.512674062968} H10 25 1
1 {} {0.476375993891 0.644435078311 0.308358734516} H11 26 1
1 {} {0.241262065403 0.60132189043 0.636399926172} H12 27 1
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1 {} {0.267134514691 0.374719375921 0.52109883501} H16 31 1
1 {} {0.186258406883 0.366663158691 0.541855028486} H17 32 1
1 {} {0.244765353823 0.447158443245 0.368817055163} H18 33 1
1 {} {0.189786303803 0.455926480731 0.38269481094} H19 34 1
1 {} {0.149639347619 0.55932266548 0.732926377381} H20 35 1
1 {} {0.122400668233 0.495989764222 0.684411583825} H21 36 1
6 {} {0.621417360835 0.612292641569 0.351182898704} C4 37 1
14 {} {0.579066306018 0.550454609788 0.389094748997} Si6 38 1
14 {} {0.613903548507 0.700260178744 0.388369848837} Si7 39 1
8 {} {0.532650484829 0.594317838313 0.383691945093} O5 40 1
8 {} {0.577018214762 0.485431420989 0.322094631378} O6 41 1
6 {} {0.587542713116 0.517005768297 0.50447201567} C5 42 1
6 {} {0.631639840922 0.717256885608 0.505525416584} C6 43 1
8 {} {0.559001290904 0.716240357197 0.376779243298} O7 44 1
8 {} {0.641209429614 0.749713013512 0.31844276611} O8 45 1
14 {} {0.570423544802 0.424504586078 0.249222308899} Si8 46 1
7 {} {0.582892836338 0.346327271893 0.292218351651} N4 47 1
14 {} {0.539298532461 0.29006697081 0.315877200782} Si9 48 1
14 {} {0.637511062343 0.320933814904 0.317399173216} Si10 49 1
7 {} {0.678535856688 0.367156733442 0.2662347846} N5 50 1
7 {} {0.515411949144 0.246837202167 0.228543300599} N6 51 1
1 {} {0.654616493498 0.593987950076 0.369867535275} H22 52 1
1 {} {0.618687311518 0.612423501768 0.277835601718} H23 53 1
1 {} {0.534209994644 0.644116065736 0.379237664384} H24 54 1
1 {} {0.61952374051 0.490190233622 0.507814826652} H25 55 1
1 {} {0.560970794883 0.481935461566 0.523776685085} H26 56 1
1 {} {0.588079442359 0.55783165317 0.553613140537} H27 57 1
1 {} {0.626400385403 0.770058349957 0.523654291009} H28 58 1
1 {} {0.667228681467 0.705838819661 0.514796163284} H29 59 1
1 {} {0.612692267037 0.686685459667 0.553283769412} H30 60 1
1 {} {0.548212329157 0.761837410027 0.373694771533} H31 61 1
1 {} {0.659164284445 0.785299772779 0.343383322255} H32 62 1
1 {} {0.52276096303 0.422474820943 0.22045324438} H33 63 1
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1 {} {0.641321347475 0.249534763917 0.289269380909} H38 68 1
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1 {} {0.493197166889 0.270036464647 0.187819774458} H41 71 1
1 {} {0.532819965199 0.21139542837 0.19482208109} H42 72 1
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