./iterations/neb0_image06_iter5.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 {{}}
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@data
6 {} {0.367558611674 0.570641452932 0.412071537838} C1 1 1
14 {} {0.344248074679 0.543939881246 0.522773359355} Si1 2 1
14 {} {0.429367008281 0.581125025756 0.407669782589} Si2 3 1
8 {} {0.357420652669 0.600729930069 0.598791147385} O1 4 1
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6 {} {0.460330144342 0.500693926879 0.393059679066} C3 7 1
8 {} {0.442100094634 0.616533535969 0.50664449034} O3 8 1
8 {} {0.442101857294 0.63311527973 0.324467068192} O4 9 1
14 {} {0.238849656033 0.546612116899 0.557072264425} Si3 10 1
7 {} {0.219187362643 0.468612837119 0.591229740718} N1 11 1
14 {} {0.196718225394 0.460346874142 0.698610627471} Si4 12 1
14 {} {0.219733784986 0.400964375994 0.516156429542} Si5 13 1
7 {} {0.213680322461 0.422271041164 0.405817840516} N2 14 1
7 {} {0.146293726586 0.499360234742 0.718780678026} N3 15 1
1 {} {0.357551897062 0.534866176755 0.359788728526} H1 16 1
1 {} {0.351922561361 0.618956822995 0.395083578096} H2 17 1
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1 {} {0.354489835502 0.42017482009 0.508134532471} H4 19 1
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1 {} {0.450776642387 0.476838510747 0.329980375065} H8 23 1
1 {} {0.454192678422 0.465516499552 0.447555999559} H9 24 1
1 {} {0.472867696709 0.630898925845 0.512795244889} H10 25 1
1 {} {0.473979640997 0.635286188368 0.313006392245} H11 26 1
1 {} {0.237147363442 0.590921892532 0.637312249749} H12 27 1
1 {} {0.210012536745 0.574857002086 0.485400351914} H13 28 1
1 {} {0.190016963982 0.387235050977 0.712945478048} H14 29 1
1 {} {0.228266196134 0.4895169375 0.764705485374} H15 30 1
1 {} {0.263045793396 0.364402027869 0.521976710033} H16 31 1
1 {} {0.18216611556 0.356223011716 0.542747289901} H17 32 1
1 {} {0.24067288464 0.436767532451 0.369664691878} H18 33 1
1 {} {0.185651252599 0.445497243713 0.383527117051} H19 34 1
1 {} {0.145522530357 0.548948856722 0.733826927701} H20 35 1
1 {} {0.118258115724 0.485620725433 0.685255415707} H21 36 1
6 {} {0.623271411378 0.622064384296 0.350886143011} C4 37 1
14 {} {0.580492526657 0.559504918807 0.38835122444} Si6 38 1
14 {} {0.617661650565 0.710563373718 0.387403942516} Si7 39 1
8 {} {0.530495443184 0.596100033577 0.382877890961} O5 40 1
8 {} {0.580940773672 0.495138512824 0.321226692452} O6 41 1
6 {} {0.591203207117 0.527598397666 0.503191425585} C5 42 1
6 {} {0.635761966204 0.727603143982 0.504591557095} C6 43 1
8 {} {0.562729507295 0.725359610515 0.375854407247} O7 44 1
8 {} {0.645459663696 0.759848145141 0.317592132709} O8 45 1
14 {} {0.574495473818 0.434683985445 0.248225172963} Si8 46 1
7 {} {0.587032818726 0.356595571667 0.291266161353} N4 47 1
14 {} {0.543413793063 0.300314898409 0.314847194216} Si9 48 1
14 {} {0.641604136926 0.331221130752 0.31656882714} Si10 49 1
7 {} {0.682675322567 0.377390103379 0.265417165088} N5 50 1
7 {} {0.519431574939 0.257109673487 0.227857874787} N6 51 1
1 {} {0.656663156536 0.603733284871 0.369682740834} H22 52 1
1 {} {0.622525087264 0.622860065531 0.277246388142} H23 53 1
1 {} {0.532485197415 0.644631269783 0.378089673722} H24 54 1
1 {} {0.623335177824 0.501044718128 0.50587339108} H25 55 1
1 {} {0.565121091677 0.492060908984 0.523531237003} H26 56 1
1 {} {0.592141526694 0.5681150309 0.552814781} H27 57 1
1 {} {0.630507974161 0.780380664529 0.52278603671} H28 58 1
1 {} {0.671358051258 0.716209693301 0.513983108287} H29 59 1
1 {} {0.616792404865 0.697054093594 0.552376433011} H30 60 1
1 {} {0.552328981662 0.771255313147 0.372993951333} H31 61 1
1 {} {0.663299516132 0.795621456264 0.342669355225} H32 62 1
1 {} {0.526899069876 0.432772490039 0.219566182544} H33 63 1
1 {} {0.603754674755 0.450754193997 0.170801674724} H34 64 1
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1 {} {0.650876923742 0.337318354476 0.414039967791} H37 67 1
1 {} {0.645373908556 0.259827951631 0.288456059639} H38 68 1
1 {} {0.695876348893 0.418245064002 0.295722793177} H39 69 1
1 {} {0.685633858159 0.380414152264 0.198049920266} H40 70 1
1 {} {0.497333657495 0.280493544536 0.186904015682} H41 71 1
1 {} {0.536937672551 0.221733693827 0.193972817155} H42 72 1
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