iterations/neb0_image08_iter17.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_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.362139156688 0.525712662173 0.423559292197} C1 1 1
14 {} {0.343308383859 0.492504550007 0.534653710802} Si1 2 1
14 {} {0.416344596607 0.570519605934 0.418402501312} Si2 3 1
8 {} {0.346627064876 0.552758784799 0.609850877168} O1 4 1
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8 {} {0.417069728825 0.620593560713 0.329828460496} O4 9 1
14 {} {0.238077347514 0.476098589208 0.557246649069} Si3 10 1
7 {} {0.218468467264 0.397402548983 0.588701292057} N1 11 1
14 {} {0.182437424379 0.393102859105 0.68057100351} Si4 12 1
14 {} {0.234065771912 0.32738757598 0.524693079214} Si5 13 1
7 {} {0.235290457831 0.339705446397 0.411070913286} N2 14 1
7 {} {0.134897685572 0.44139976014 0.673419912935} N3 15 1
1 {} {0.36202809366 0.485263795829 0.373509088969} H1 16 1
1 {} {0.337161649082 0.56260110465 0.401489039974} H2 17 1
1 {} {0.370389978007 0.584954458348 0.596803093366} H3 18 1
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1 {} {0.497874816058 0.538847826373 0.41257357281} H7 22 1
1 {} {0.463674122775 0.482250577991 0.352547032257} H8 23 1
1 {} {0.464140973035 0.482388355801 0.470355313555} H9 24 1
1 {} {0.444495054426 0.64151778588 0.524673535158} H10 25 1
1 {} {0.446207879722 0.627500618676 0.303091155682} H11 26 1
1 {} {0.232344518273 0.521804797897 0.635226915328} H12 27 1
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1 {} {0.205485695649 0.417477828848 0.762442782149} H15 30 1
1 {} {0.279993009477 0.305739904552 0.549631037952} H16 31 1
1 {} {0.20092694119 0.274015229198 0.545043869939} H17 32 1
1 {} {0.261709453896 0.363805662944 0.383202285633} H18 33 1
1 {} {0.206803286804 0.35047881141 0.377148933366} H19 34 1
1 {} {0.134732437236 0.489018146527 0.697121628166} H20 35 1
1 {} {0.112245823458 0.435477413128 0.623595479238} H21 36 1
6 {} {0.579682199682 0.357098129429 0.30817200995} C4 37 1
14 {} {0.576205247166 0.389243936786 0.425808005026} Si6 38 1
14 {} {0.563622531487 0.268040740503 0.290403630304} Si7 39 1
8 {} {0.605063072742 0.340929773496 0.493804198293} O5 40 1
8 {} {0.59725323603 0.465597716756 0.430295161392} O6 41 1
6 {} {0.517747351009 0.394048263108 0.464188737981} C5 42 1
6 {} {0.502721838125 0.25746046581 0.266792084061} C6 43 1
8 {} {0.578918097325 0.229398833292 0.384640720826} O7 44 1
8 {} {0.593326403938 0.231155020597 0.210479432823} O8 45 1
14 {} {0.641042247933 0.510387201717 0.458994534043} Si8 46 1
7 {} {0.625597145059 0.591487102349 0.486076450422} N4 47 1
14 {} {0.632097994017 0.619288117524 0.596444938712} Si9 48 1
14 {} {0.601730017344 0.645272782113 0.406996791877} Si10 49 1
7 {} {0.61285698973 0.625945783172 0.297343243604} N5 50 1
7 {} {0.68492809242 0.639160435871 0.632875191089} N6 51 1
1 {} {0.56016666263 0.388928967927 0.262440245038} H22 52 1
1 {} {0.614922260132 0.362276746457 0.288519525862} H23 53 1
1 {} {0.602033106967 0.294019391425 0.476059068449} H24 54 1
1 {} {0.500495343052 0.424843118725 0.415646323092} H25 55 1
1 {} {0.514909351798 0.419654158883 0.529101318092} H26 56 1
1 {} {0.499269480237 0.346712416125 0.465893826647} H27 57 1
1 {} {0.493395337237 0.204339160753 0.262171607339} H28 58 1
1 {} {0.493447398652 0.28158063905 0.203412798557} H29 59 1
1 {} {0.482306324585 0.280293841459 0.319595712844} H30 60 1
1 {} {0.581606526018 0.181055637019 0.382431664659} H31 61 1
1 {} {0.580115797112 0.22704358022 0.151779177997} H32 62 1
1 {} {0.663162729594 0.481767693576 0.539660219873} H33 63 1
1 {} {0.672840040233 0.51015261067 0.38233996514} H34 64 1
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1 {} {0.551940544564 0.644425597852 0.414611639306} H37 67 1
1 {} {0.618686800415 0.714161232731 0.425062932576} H38 68 1
1 {} {0.596496546538 0.587604105772 0.267316735244} H39 69 1
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1 {} {0.706315234924 0.601849353234 0.650583693577} H41 71 1
1 {} {0.701911226226 0.67823704142 0.605517186826} H42 72 1
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