./iterations/neb0_image05_iter23.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_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.365705702328 0.566008406303 0.412612439574} C1 1 1
14 {} {0.342480085261 0.539459899776 0.523093063964} Si1 2 1
14 {} {0.427036184747 0.576541971117 0.408164439937} Si2 3 1
8 {} {0.355664736784 0.596102214004 0.599207303254} O1 4 1
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6 {} {0.457567386016 0.495327884514 0.393529070596} C3 7 1
8 {} {0.440168252232 0.611882017903 0.506630785704} O3 8 1
8 {} {0.439593024053 0.62872083144 0.325609150018} O4 9 1
14 {} {0.237146120471 0.542159871386 0.557294804085} Si3 10 1
7 {} {0.217478468375 0.464138489239 0.59150167856} N1 11 1
14 {} {0.194986651677 0.455820726001 0.698937209338} Si4 12 1
14 {} {0.217972374359 0.396422555767 0.51643833447} Si5 13 1
7 {} {0.211896450015 0.417582629857 0.406006312479} N2 14 1
7 {} {0.144530170095 0.494755156954 0.719325087173} N3 15 1
1 {} {0.355855558648 0.530311546035 0.360267157217} H1 16 1
1 {} {0.350299068538 0.614313826151 0.395477269829} H2 17 1
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1 {} {0.448244704587 0.471065953876 0.330127513237} H8 23 1
1 {} {0.451429469821 0.459824223766 0.448367133205} H9 24 1
1 {} {0.471102099235 0.62528586663 0.513392596192} H10 25 1
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1 {} {0.23538134747 0.586413082493 0.637605472772} H12 27 1
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1 {} {0.261260396207 0.359789044758 0.522271871093} H16 31 1
1 {} {0.180373717773 0.351822157797 0.54309833739} H17 32 1
1 {} {0.238901160395 0.43231253685 0.370032571521} H18 33 1
1 {} {0.183896432777 0.441054535008 0.383936095712} H19 34 1
1 {} {0.143771462651 0.544400837981 0.734152233546} H20 35 1
1 {} {0.11652011898 0.481034207103 0.685653835984} H21 36 1
6 {} {0.625592763688 0.626772213823 0.350369351616} C4 37 1
14 {} {0.582749910407 0.564391561744 0.387918621453} Si6 38 1
14 {} {0.619544707963 0.715131195684 0.38709758965} Si7 39 1
8 {} {0.533526772098 0.603071840855 0.382694352553} O5 40 1
8 {} {0.582732200164 0.499909355713 0.320741636837} O6 41 1
6 {} {0.59307271478 0.532184823867 0.502930135716} C5 42 1
6 {} {0.637565944735 0.732111312178 0.504271548594} C6 43 1
8 {} {0.564651965497 0.730084305696 0.375648235104} O7 44 1
8 {} {0.647083633088 0.764514800367 0.317156874605} O8 45 1
14 {} {0.576274964209 0.439313073671 0.247804060152} Si8 46 1
7 {} {0.588852040289 0.361212240974 0.290965748752} N4 47 1
14 {} {0.545131176351 0.304868354032 0.314422495095} Si9 48 1
14 {} {0.643339278734 0.335838352588 0.316287920385} Si10 49 1
7 {} {0.684440198826 0.382077573811 0.264981113212} N5 50 1
7 {} {0.521383099165 0.261934061578 0.227430459547} N6 51 1
1 {} {0.658961899671 0.608462325117 0.369081489353} H22 52 1
1 {} {0.624348748738 0.627411340741 0.276740729472} H23 53 1
1 {} {0.536782714854 0.652074436691 0.378490619711} H24 54 1
1 {} {0.625154055302 0.505505275121 0.505960319538} H25 55 1
1 {} {0.566801912772 0.496798777046 0.522961515737} H26 56 1
1 {} {0.593872465905 0.572780576932 0.55247969338} H27 57 1
1 {} {0.632303645941 0.784895564878 0.522404076641} H28 58 1
1 {} {0.673156469062 0.720704471589 0.513608349602} H29 59 1
1 {} {0.618577255663 0.701571518104 0.552035062569} H30 60 1
1 {} {0.554017966252 0.775823822096 0.372575556678} H31 61 1
1 {} {0.6650524959 0.800141882443 0.34215970615} H32 62 1
1 {} {0.528621341762 0.437289610483 0.219089509266} H33 63 1
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1 {} {0.647224207904 0.26443146547 0.288045376445} H38 68 1
1 {} {0.69776268819 0.422838144996 0.295356536602} H39 69 1
1 {} {0.687426750143 0.384980667039 0.197651550536} H40 70 1
1 {} {0.499048451366 0.284934494725 0.186592905185} H41 71 1
1 {} {0.538721157192 0.226279687671 0.193636147594} H42 72 1
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