./iterations/neb0_image01_iter26.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_image01
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.358159716141 0.546644502522 0.413965132052} C1 1 1
14 {} {0.334815857726 0.520125184615 0.524790000548} Si1 2 1
14 {} {0.419846167994 0.557462880647 0.409681892091} Si2 3 1
8 {} {0.347932159342 0.576830941184 0.600684303205} O1 4 1
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6 {} {0.451025581598 0.477214860587 0.395064047444} C3 7 1
8 {} {0.432759758392 0.592180818358 0.508688604526} O3 8 1
8 {} {0.432970048373 0.608887314042 0.326746367192} O4 9 1
14 {} {0.229404790399 0.52282076194 0.558922001574} Si3 10 1
7 {} {0.209748195823 0.444708214861 0.593113787947} N1 11 1
14 {} {0.187305549981 0.43644763587 0.700602756029} Si4 12 1
14 {} {0.210298512877 0.377021019353 0.518065655683} Si5 13 1
7 {} {0.204233128096 0.398195885526 0.40761857584} N2 14 1
7 {} {0.136884204741 0.47552321802 0.720747369982} N3 15 1
1 {} {0.348118495936 0.510854603027 0.361725504142} H1 16 1
1 {} {0.342511762424 0.594970227904 0.397000063163} H2 17 1
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1 {} {0.441456306783 0.452891355303 0.332091686064} H8 23 1
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1 {} {0.46346724258 0.607163609727 0.514901414256} H10 25 1
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1 {} {0.253567255414 0.3404532728 0.523890708685} H16 31 1
1 {} {0.172705864368 0.332413779952 0.544705952145} H17 32 1
1 {} {0.231222789825 0.41285022218 0.371608457844} H18 33 1
1 {} {0.176240773628 0.421613293769 0.385504680108} H19 34 1
1 {} {0.136092195469 0.525102396699 0.735772935694} H20 35 1
1 {} {0.108850683108 0.461700748991 0.68731279165} H21 36 1
6 {} {0.632687966299 0.645994499155 0.348974215427} C4 37 1
14 {} {0.589556639881 0.583451898142 0.386324999932} Si6 38 1
14 {} {0.627032160016 0.734467114255 0.385501565148} Si7 39 1
8 {} {0.53923958147 0.618921156945 0.380660586734} O5 40 1
8 {} {0.590385358207 0.519006166262 0.319361936899} O6 41 1
6 {} {0.60061914119 0.551589664687 0.501291934437} C5 42 1
6 {} {0.645220199135 0.75151020585 0.502656568926} C6 43 1
8 {} {0.572205491522 0.749302034927 0.373967571788} O7 44 1
8 {} {0.654817278155 0.783826450394 0.315592244534} O8 45 1
14 {} {0.584036402928 0.458603848523 0.246237850683} Si8 46 1
7 {} {0.596424832903 0.38049853768 0.289194249127} N4 47 1
14 {} {0.553011219661 0.324351558102 0.312896797956} Si9 48 1
14 {} {0.651172175466 0.355236823343 0.314500342274} Si10 49 1
7 {} {0.692125836412 0.401390290704 0.263451420979} N5 50 1
7 {} {0.528968943408 0.281120752178 0.225851470297} N6 51 1
1 {} {0.66607868276 0.627613599658 0.367687912627} H22 52 1
1 {} {0.631911949049 0.646790854725 0.275339745588} H23 53 1
1 {} {0.541350853623 0.667951253691 0.375912539337} H24 54 1
1 {} {0.632726979829 0.525004842556 0.504077047737} H25 55 1
1 {} {0.574503005565 0.516060348419 0.52160850153} H26 56 1
1 {} {0.601504650024 0.592142326137 0.550843788583} H27 57 1
1 {} {0.639961888236 0.804292417311 0.520830291119} H28 58 1
1 {} {0.680817300316 0.740098852852 0.512022706557} H29 59 1
1 {} {0.626223774099 0.720948749976 0.550393594204} H30 60 1
1 {} {0.561801507335 0.795171242464 0.371049101785} H31 61 1
1 {} {0.672740838772 0.819509961922 0.34064794488} H32 62 1
1 {} {0.53633065399 0.456644603296 0.217565101316} H33 63 1
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1 {} {0.65487834736 0.283779439241 0.286473360398} H38 68 1
1 {} {0.705374031476 0.442201495178 0.293711222585} H39 69 1
1 {} {0.695081099078 0.404346705648 0.196142048243} H40 70 1
1 {} {0.506743600241 0.304352691823 0.18490152261} H41 71 1
1 {} {0.546414572775 0.245584368077 0.191889505602} H42 72 1
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