./iterations/neb0_image07_iter11.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_image07
@Columns AsymmetricAtom
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Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.369610225103 0.575794889068 0.411688791051} C1 1 1
14 {} {0.34636329495 0.549055764786 0.522294272126} Si1 2 1
14 {} {0.431624817146 0.584978964196 0.407233685134} Si2 3 1
8 {} {0.359431700443 0.605767444213 0.598374116211} O1 4 1
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8 {} {0.443872449604 0.6219995268 0.506158016116} O3 8 1
8 {} {0.443414017978 0.639007738087 0.324443872695} O4 9 1
14 {} {0.240935832708 0.551782979372 0.556599794684} Si3 10 1
7 {} {0.221208055112 0.473688177775 0.590831154367} N1 11 1
14 {} {0.198737612949 0.465442555018 0.698221874959} Si4 12 1
14 {} {0.221772094906 0.406088139495 0.515701313543} Si5 13 1
7 {} {0.215682045541 0.427374152344 0.405343003891} N2 14 1
7 {} {0.148292907996 0.504431655517 0.718393817751} N3 15 1
1 {} {0.359620638779 0.539977088991 0.359435919271} H1 16 1
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1 {} {0.452046005888 0.480854426427 0.328873008807} H8 23 1
1 {} {0.455177224573 0.469098472856 0.448221720567} H9 24 1
1 {} {0.474810144834 0.63551370149 0.512728023691} H10 25 1
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1 {} {0.26504535128 0.369495492689 0.521548447338} H16 31 1
1 {} {0.184173527142 0.361375156157 0.542310345223} H17 32 1
1 {} {0.24269350587 0.441881081652 0.369232935031} H18 33 1
1 {} {0.187668208153 0.450634859586 0.38310052581} H19 34 1
1 {} {0.147546454642 0.554037700357 0.733404151823} H20 35 1
1 {} {0.120276730547 0.49069498106 0.684833542367} H21 36 1
6 {} {0.621635939062 0.617088286626 0.351208555545} C4 37 1
14 {} {0.580095708209 0.554478252602 0.388833548099} Si6 38 1
14 {} {0.61574144701 0.705449287051 0.387854623965} Si7 39 1
8 {} {0.532369663836 0.595158413591 0.38322927901} O5 40 1
8 {} {0.578952603886 0.490255464803 0.321488262621} O6 41 1
6 {} {0.589215005488 0.522499925095 0.503722554166} C5 42 1
6 {} {0.633734027601 0.722513001565 0.505016425551} C6 43 1
8 {} {0.560647998465 0.720409465729 0.376334244689} O7 44 1
8 {} {0.643413920056 0.754766301873 0.318022552601} O8 45 1
14 {} {0.572426650218 0.429507609265 0.248614318165} Si8 46 1
7 {} {0.584983556441 0.351508788497 0.29167693865} N4 47 1
14 {} {0.541379441334 0.295275194496 0.315329192144} Si9 48 1
14 {} {0.639631522123 0.326147910643 0.316918100647} Si10 49 1
7 {} {0.680643958525 0.37233593754 0.265836820601} N5 50 1
7 {} {0.517462519325 0.252058410479 0.228208233062} N6 51 1
1 {} {0.654770110386 0.598730100759 0.36998275282} H22 52 1
1 {} {0.620503750315 0.617746419048 0.277652469754} H23 53 1
1 {} {0.532509815273 0.643708433797 0.378841823039} H24 54 1
1 {} {0.621285569154 0.495985412491 0.506367648078} H25 55 1
1 {} {0.563053023498 0.487034793941 0.523891446965} H26 56 1
1 {} {0.590102927502 0.563064684498 0.55325481664} H27 57 1
1 {} {0.628491621748 0.775284996144 0.523209681894} H28 58 1
1 {} {0.669325437347 0.711105256184 0.514389529071} H29 59 1
1 {} {0.614780325853 0.691955081845 0.55281376377} H30 60 1
1 {} {0.550286308481 0.766274045507 0.373388070247} H31 61 1
1 {} {0.661268969418 0.790529730021 0.343035201015} H32 62 1
1 {} {0.524863518758 0.427693864824 0.219968684133} H33 63 1
1 {} {0.601739058375 0.445709071981 0.171300761698} H34 64 1
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1 {} {0.643381751847 0.254734647352 0.288851997696} H38 68 1
1 {} {0.693887696032 0.413160333243 0.296155883097} H39 69 1
1 {} {0.68360535647 0.375325478575 0.198433415977} H40 70 1
1 {} {0.495313342299 0.275350361542 0.187345701401} H41 71 1
1 {} {0.534914788501 0.216631361821 0.194349617314} H42 72 1
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