iterations/neb0_image06_iter25.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.358440428814 0.535705677849 0.422996962611} C1 1 1
14 {} {0.339536868494 0.502454041962 0.534105722235} Si1 2 1
14 {} {0.413191626845 0.579265526039 0.418216175275} Si2 3 1
8 {} {0.342856283816 0.562681395109 0.609347785984} O1 4 1
8 {} {0.286616282437 0.480302932756 0.52610186254} O2 5 1
6 {} {0.371193688248 0.426484098108 0.569429276603} C2 6 1
6 {} {0.462114594981 0.522407689055 0.411870827904} C3 7 1
8 {} {0.415164220509 0.62256499168 0.514234128} O3 8 1
8 {} {0.413557668987 0.630001762168 0.330172672156} O4 9 1
14 {} {0.234341874164 0.486032919333 0.556642955046} Si3 10 1
7 {} {0.214656003338 0.407362149097 0.58813721018} N1 11 1
14 {} {0.178657548099 0.403063213092 0.680062802152} Si4 12 1
14 {} {0.230242649961 0.33734853882 0.52415055434} Si5 13 1
7 {} {0.231478231979 0.349590538118 0.410497100992} N2 14 1
7 {} {0.131117732629 0.451336253265 0.672913501371} N3 15 1
1 {} {0.358226456979 0.495206540911 0.372983768962} H1 16 1
1 {} {0.333325181729 0.572555889219 0.400914091633} H2 17 1
1 {} {0.36658913526 0.594868626141 0.596224653675} H3 18 1
1 {} {0.367859254389 0.385474942499 0.520962037679} H4 19 1
1 {} {0.358534191804 0.40842807769 0.63393997206} H5 20 1
1 {} {0.406908045882 0.43747285171 0.57770043278} H6 21 1
1 {} {0.494421882379 0.548769632214 0.411823532986} H7 22 1
1 {} {0.460529784917 0.490969011688 0.351596004246} H8 23 1
1 {} {0.462043096839 0.48907311419 0.470158667093} H9 24 1
1 {} {0.440666912061 0.6514919064 0.524174109168} H10 25 1
1 {} {0.442357105119 0.63752944523 0.302489214017} H11 26 1
1 {} {0.228565540756 0.531750770244 0.634627063357} H12 27 1
1 {} {0.208831903674 0.512664801127 0.478927168475} H13 28 1
1 {} {0.165800083778 0.331348972925 0.688219817884} H14 29 1
1 {} {0.201717574521 0.427464669641 0.761900367243} H15 30 1
1 {} {0.276178151298 0.315692372786 0.549045537929} H16 31 1
1 {} {0.197111248153 0.283962106993 0.544512441458} H17 32 1
1 {} {0.257881984192 0.373720816681 0.382667106791} H18 33 1
1 {} {0.202989694831 0.360435523499 0.37659987621} H19 34 1
1 {} {0.130951859557 0.49895352001 0.696545677964} H20 35 1
1 {} {0.108474841674 0.445398140709 0.623078221856} H21 36 1
6 {} {0.583495146036 0.347105801485 0.308823331547} C4 37 1
14 {} {0.579304748237 0.379840754914 0.426368260243} Si6 38 1
14 {} {0.567418138758 0.258108385125 0.290850227331} Si7 39 1
8 {} {0.608380620606 0.331169343331 0.494077613449} O5 40 1
8 {} {0.601145045798 0.455534081257 0.430887478683} O6 41 1
6 {} {0.520307378821 0.386692252755 0.463508601082} C5 42 1
6 {} {0.506517106035 0.247486825176 0.267293754079} C6 43 1
8 {} {0.582519698395 0.219446753537 0.385226241918} O7 44 1
8 {} {0.597163635523 0.221284356539 0.210969974398} O8 45 1
14 {} {0.644939447676 0.500539689444 0.459599408985} Si8 46 1
7 {} {0.629359117608 0.581591637727 0.486593540077} N4 47 1
14 {} {0.635975414218 0.60938636392 0.596948848155} Si9 48 1
14 {} {0.605487411939 0.635327177792 0.407650522952} Si10 49 1
7 {} {0.616676836161 0.615823736055 0.298150274718} N5 50 1
7 {} {0.688776574298 0.629290578608 0.63362906299} N6 51 1
1 {} {0.563979752488 0.379004131353 0.263110960508} H22 52 1
1 {} {0.6187770862 0.352307853092 0.289030270785} H23 53 1
1 {} {0.60587083187 0.284086484738 0.47657951323} H24 54 1
1 {} {0.502085037141 0.418732290169 0.416657879927} H25 55 1
1 {} {0.518453828442 0.409982424124 0.529828388123} H26 56 1
1 {} {0.50316516693 0.338099999024 0.466032934734} H27 57 1
1 {} {0.497247568109 0.194356280334 0.262735502107} H28 58 1
1 {} {0.49719830094 0.271610653395 0.203945490398} H29 59 1
1 {} {0.486136606489 0.270308402709 0.320160188883} H30 60 1
1 {} {0.585457608977 0.171120580565 0.382910802323} H31 61 1
1 {} {0.58391184197 0.217089570969 0.152270805787} H32 62 1
1 {} {0.666972885141 0.471822958643 0.540238218098} H33 63 1
1 {} {0.676615563591 0.500195666862 0.382931699691} H34 64 1
1 {} {0.608407713424 0.671383177191 0.603375771788} H35 65 1
1 {} {0.619566665397 0.556301065592 0.658437138674} H36 66 1
1 {} {0.555709028251 0.634605380981 0.415130050492} H37 67 1
1 {} {0.62247974779 0.704177354365 0.42545103174} H38 68 1
1 {} {0.600169536965 0.577594629483 0.267743931762} H39 69 1
1 {} {0.648220741886 0.6196356916 0.273698064971} H40 70 1
1 {} {0.710087874757 0.591998800116 0.651087167445} H41 71 1
1 {} {0.705722639634 0.668251703611 0.606184050664} H42 72 1
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