./iterations/neb0_image06_iter39.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#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
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@data
6 {} {0.36731334973 0.571160207776 0.412360226159} C1 1 1
14 {} {0.344317170361 0.544568632592 0.522936920877} Si1 2 1
14 {} {0.428916605098 0.580626461056 0.407990132002} Si2 3 1
8 {} {0.357569589985 0.601404690318 0.598747618565} O1 4 1
8 {} {0.289343163731 0.542731613272 0.515725507081} O2 5 1
6 {} {0.363354875799 0.459348743662 0.557471091137} C2 6 1
6 {} {0.458008408143 0.49863833474 0.393132215716} C3 7 1
8 {} {0.442066343074 0.615986911736 0.506770011426} O3 8 1
8 {} {0.44098730247 0.633026588192 0.325147293551} O4 9 1
14 {} {0.239071687165 0.547444401018 0.55691667892} Si3 10 1
7 {} {0.219476281056 0.469331701059 0.59110123434} N1 11 1
14 {} {0.197106760071 0.46103375759 0.698611570458} Si4 12 1
14 {} {0.220009067976 0.401609826613 0.515978259052} Si5 13 1
7 {} {0.213910905197 0.422621461697 0.405441126166} N2 14 1
7 {} {0.146628287577 0.500019349691 0.718907561678} N3 15 1
1 {} {0.357677472627 0.535362222316 0.359743988337} H1 16 1
1 {} {0.352071698206 0.619766867792 0.395033458672} H2 17 1
1 {} {0.387489756289 0.619606470711 0.588949748554} H3 18 1
1 {} {0.35471112013 0.420796585486 0.508088329355} H4 19 1
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1 {} {0.44837622928 0.474454204844 0.330203017621} H8 23 1
1 {} {0.451212618195 0.463448554826 0.447609654885} H9 24 1
1 {} {0.473096254212 0.629237413521 0.512979984428} H10 25 1
1 {} {0.472423475739 0.631597911005 0.308895495416} H11 26 1
1 {} {0.237429643844 0.591703100045 0.637148947141} H12 27 1
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1 {} {0.228642412004 0.490262192173 0.764618668237} H15 30 1
1 {} {0.263273199128 0.365018145845 0.52186274756} H16 31 1
1 {} {0.182381455754 0.357092920214 0.542663207601} H17 32 1
1 {} {0.240959107412 0.437521959783 0.369652893682} H18 33 1
1 {} {0.185981447062 0.446311145375 0.383485783701} H19 34 1
1 {} {0.145863150439 0.549691120995 0.733691034182} H20 35 1
1 {} {0.118617536115 0.486256984922 0.685267931055} H21 36 1
6 {} {0.624609966891 0.621683968818 0.350770070446} C4 37 1
14 {} {0.581408923473 0.559978358936 0.388542306383} Si6 38 1
14 {} {0.618151837099 0.710132106666 0.387375424548} Si7 39 1
8 {} {0.533237094072 0.601230201697 0.383559182431} O5 40 1
8 {} {0.580438381533 0.495642994136 0.321027412322} O6 41 1
6 {} {0.591300443058 0.527085755102 0.503257070993} C5 42 1
6 {} {0.63560762921 0.727014691784 0.504851208803} C6 43 1
8 {} {0.563306825976 0.725642646944 0.376067525857} O7 44 1
8 {} {0.645314286716 0.759864886692 0.317298401149} O8 45 1
14 {} {0.574254907126 0.434599703001 0.248719194905} Si8 46 1
7 {} {0.586714167314 0.356368669278 0.291696761984} N4 47 1
14 {} {0.54312126662 0.299891343258 0.314822527913} Si9 48 1
14 {} {0.641297860633 0.330842928461 0.316700629414} Si10 49 1
7 {} {0.682247288732 0.377065136567 0.26544781765} N5 50 1
7 {} {0.519313738116 0.256688485566 0.227737393645} N6 51 1
1 {} {0.658274706214 0.604105137542 0.368511785516} H22 52 1
1 {} {0.622954750035 0.622291171971 0.277198360611} H23 53 1
1 {} {0.538015703232 0.650247808163 0.379331608448} H24 54 1
1 {} {0.623178938183 0.50004704226 0.507220749452} H25 55 1
1 {} {0.564811535043 0.491948122968 0.522650251179} H26 56 1
1 {} {0.591962771977 0.567498799585 0.552977934556} H27 57 1
1 {} {0.630249369665 0.779786566094 0.522931985351} H28 58 1
1 {} {0.671163854354 0.71555114394 0.514282960058} H29 59 1
1 {} {0.616523825604 0.696385134366 0.552403570694} H30 60 1
1 {} {0.552043029677 0.771005674602 0.372835614125} H31 61 1
1 {} {0.663179550755 0.79549389384 0.342493120037} H32 62 1
1 {} {0.526679841779 0.432268188228 0.219710683165} H33 63 1
1 {} {0.603474226205 0.450279827715 0.171078865554} H34 64 1
1 {} {0.563053917368 0.249081985358 0.376000348696} H35 65 1
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1 {} {0.650629606134 0.336826625354 0.414219147042} H37 67 1
1 {} {0.64517878615 0.25941094562 0.288521093075} H38 68 1
1 {} {0.695803954338 0.417615001588 0.295769848603} H39 69 1
1 {} {0.685344402432 0.37982141426 0.198085746516} H40 70 1
1 {} {0.496947449053 0.279655720466 0.18699770598} H41 71 1
1 {} {0.53670294918 0.221090729622 0.194020877054} H42 72 1
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