iterations/neb0_image07_iter14.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_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.360365977016 0.530718767635 0.423286200989} C1 1 1
14 {} {0.341378476082 0.497674377868 0.534343947501} Si1 2 1
14 {} {0.414862752385 0.574456011421 0.418638388989} Si2 3 1
8 {} {0.344657480405 0.557965393425 0.609569829936} O1 4 1
8 {} {0.288464080974 0.475710349456 0.526380018148} O2 5 1
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6 {} {0.463698289941 0.517993551515 0.411886840681} C3 7 1
8 {} {0.417159579769 0.61741591252 0.514561024052} O3 8 1
8 {} {0.415603662548 0.624464727138 0.330403262678} O4 9 1
14 {} {0.236121554125 0.4812779757 0.556968358021} Si3 10 1
7 {} {0.216505739431 0.402524442664 0.588397785775} N1 11 1
14 {} {0.180484975205 0.398241052917 0.680261792951} Si4 12 1
14 {} {0.232101327678 0.332528220013 0.524397079041} Si5 13 1
7 {} {0.233319075524 0.344980621739 0.410821096036} N2 14 1
7 {} {0.132958454481 0.44659730908 0.673111315991} N3 15 1
1 {} {0.36001805815 0.490282333259 0.373226187509} H1 16 1
1 {} {0.335441587577 0.567748935715 0.401260551793} H2 17 1
1 {} {0.368441064471 0.590098749958 0.596500951863} H3 18 1
1 {} {0.369704148808 0.380686670707 0.521230453708} H4 19 1
1 {} {0.360369429603 0.403609016467 0.634231273095} H5 20 1
1 {} {0.408755854498 0.432655115576 0.578004246894} H6 21 1
1 {} {0.496126417741 0.543220225652 0.412254928549} H7 22 1
1 {} {0.462481968945 0.486257211203 0.352485147978} H8 23 1
1 {} {0.463804795938 0.484908480446 0.469780862087} H9 24 1
1 {} {0.44252879293 0.646590983293 0.524391294721} H10 25 1
1 {} {0.444323917899 0.63260310137 0.302666859773} H11 26 1
1 {} {0.230373409341 0.526929685016 0.634952089575} H12 27 1
1 {} {0.210642711538 0.507844176863 0.479262463444} H13 28 1
1 {} {0.167596249392 0.326560981002 0.688417667995} H14 29 1
1 {} {0.203518069266 0.422597914385 0.76214505899} H15 30 1
1 {} {0.278013442407 0.310874807095 0.54933690191} H16 31 1
1 {} {0.198973887037 0.279156973335 0.544754854235} H17 32 1
1 {} {0.259763948495 0.368945747708 0.382895329171} H18 33 1
1 {} {0.20482882695 0.355624979671 0.376840296223} H19 34 1
1 {} {0.132779158482 0.494195450866 0.696849942777} H20 35 1
1 {} {0.110286282151 0.440614534169 0.62331872718} H21 36 1
6 {} {0.581559133006 0.351995457695 0.308604887682} C4 37 1
14 {} {0.577479327161 0.384826095125 0.425830068798} Si6 38 1
14 {} {0.565577521013 0.262947321963 0.290658557552} Si7 39 1
8 {} {0.606074914425 0.336219925186 0.493823902387} O5 40 1
8 {} {0.599263005752 0.460484659743 0.430531599072} O6 41 1
6 {} {0.518933358213 0.391144742122 0.463643500385} C5 42 1
6 {} {0.50468304539 0.252308878411 0.267074868626} C6 43 1
8 {} {0.580754400243 0.224280309972 0.384951794551} O7 44 1
8 {} {0.595255276407 0.225892398629 0.210799203061} O8 45 1
14 {} {0.643047293545 0.505303308745 0.459161324785} Si8 46 1
7 {} {0.627582292467 0.586347746984 0.486603775057} N4 47 1
14 {} {0.634059491008 0.614128021766 0.596616423713} Si9 48 1
14 {} {0.603696163887 0.640129278051 0.407212385469} Si10 49 1
7 {} {0.614806025236 0.620857297237 0.297648081144} N5 50 1
7 {} {0.686901323344 0.633971822995 0.633161692915} N6 51 1
1 {} {0.5621296607 0.383756781432 0.262652736094} H22 52 1
1 {} {0.616862585139 0.357139522808 0.288986664611} H23 53 1
1 {} {0.603887971604 0.28921812669 0.476215677878} H24 54 1
1 {} {0.500756827653 0.422762722783 0.417040884199} H25 55 1
1 {} {0.516569068867 0.415083475736 0.529204282702} H26 56 1
1 {} {0.500935383135 0.343430456989 0.465258273127} H27 57 1
1 {} {0.495372137388 0.199191590987 0.262456805398} H28 58 1
1 {} {0.495417212929 0.276435257576 0.203697389343} H29 59 1
1 {} {0.484266822452 0.275151415437 0.319868113576} H30 60 1
1 {} {0.583561279923 0.175935651597 0.382715440463} H31 61 1
1 {} {0.582080305976 0.221887004034 0.152041684178} H32 62 1
1 {} {0.665147690274 0.476647753153 0.539951794198} H33 63 1
1 {} {0.674841518296 0.505023834877 0.382586095661} H34 64 1
1 {} {0.606576991667 0.676202237382 0.603274696795} H35 65 1
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1 {} {0.553892255278 0.639303363785 0.414896910607} H37 67 1
1 {} {0.620657245073 0.709032146781 0.425345398775} H38 68 1
1 {} {0.598481271891 0.582475834764 0.267632148484} H39 69 1
1 {} {0.6463580924 0.62440912953 0.273432572512} H40 70 1
1 {} {0.708285852737 0.596670965789 0.650883380348} H41 71 1
1 {} {0.703860899168 0.673091109008 0.605787787534} H42 72 1
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