./iterations/neb0_image05_iter15.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_image05
@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 {} {0.365823350638 0.565898062982 0.412523305531} C1 1 1
14 {} {0.342435680024 0.539313603786 0.523059330648} Si1 2 1
14 {} {0.427455422208 0.576481385427 0.407982429684} Si2 3 1
8 {} {0.355570720654 0.596015052811 0.599251717667} O1 4 1
8 {} {0.287467994023 0.537558602677 0.516124027814} O2 5 1
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6 {} {0.458019077026 0.49561974633 0.393468143767} C3 7 1
8 {} {0.440133420194 0.611900035933 0.50691389203} O3 8 1
8 {} {0.439826133375 0.628707205993 0.325102389122} O4 9 1
14 {} {0.23702912197 0.542074387409 0.557386368034} Si3 10 1
7 {} {0.217357205159 0.463903974535 0.591574533425} N1 11 1
14 {} {0.194898549395 0.455635357476 0.699031822837} Si4 12 1
14 {} {0.217915298861 0.396219526953 0.516516411032} Si5 13 1
7 {} {0.211836919919 0.417538884525 0.406118983212} N2 14 1
7 {} {0.144455268579 0.494645789206 0.719236377182} N3 15 1
1 {} {0.355732180475 0.530172430816 0.360194946805} H1 16 1
1 {} {0.350128536052 0.614248775521 0.39545934079} H2 17 1
1 {} {0.385429117304 0.614393549818 0.58950930311} H3 18 1
1 {} {0.352644348981 0.415463772222 0.508539587059} H4 19 1
1 {} {0.345617604557 0.440222624532 0.6215782344} H5 20 1
1 {} {0.397670000531 0.452826000976 0.567811085776} H6 21 1
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1 {} {0.4486918247 0.471695887126 0.3301514097} H8 23 1
1 {} {0.452009371952 0.460290883362 0.448324339169} H9 24 1
1 {} {0.471026772653 0.625777785369 0.51323636775} H10 25 1
1 {} {0.471777814595 0.62942723639 0.312980924748} H11 26 1
1 {} {0.235303856956 0.586223661897 0.63765397617} H12 27 1
1 {} {0.208137465103 0.570173458671 0.485773485519} H13 28 1
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1 {} {0.226419353463 0.484829838555 0.765057268549} H15 30 1
1 {} {0.261183699567 0.359698511867 0.522333971985} H16 31 1
1 {} {0.180325820167 0.35161488508 0.543113944126} H17 32 1
1 {} {0.238822694338 0.432108683851 0.370054389988} H18 33 1
1 {} {0.183807682935 0.440853016383 0.383920700456} H19 34 1
1 {} {0.143684608508 0.544261339092 0.734198306609} H20 35 1
1 {} {0.116417438399 0.48090920589 0.685641308823} H21 36 1
6 {} {0.625281361273 0.626847756392 0.3504607262} C4 37 1
14 {} {0.58258991177 0.564321793946 0.387951996527} Si6 38 1
14 {} {0.619477319105 0.715228733238 0.387047321823} Si7 39 1
8 {} {0.532945559829 0.601467472172 0.382601277519} O5 40 1
8 {} {0.582794542942 0.499798813898 0.320676448671} O6 41 1
6 {} {0.593078079616 0.53230217629 0.502915039455} C5 42 1
6 {} {0.637621530718 0.732276297418 0.504233876079} C6 43 1
8 {} {0.564617338896 0.730086756306 0.375532708529} O7 44 1
8 {} {0.647236281141 0.764563232929 0.31718637626} O8 45 1
14 {} {0.576344417975 0.439335380574 0.247844533883} Si8 46 1
7 {} {0.588943056713 0.361343201005 0.290835364952} N4 47 1
14 {} {0.545210767773 0.30497881388 0.314388098632} Si9 48 1
14 {} {0.643426160876 0.335951395617 0.316158983304} Si10 49 1
7 {} {0.684539802829 0.382160417833 0.264977129891} N5 50 1
7 {} {0.521395652323 0.261988014497 0.227564503991} N6 51 1
1 {} {0.658585115657 0.608462059175 0.369235990641} H22 52 1
1 {} {0.624361319457 0.627544721721 0.276826429909} H23 53 1
1 {} {0.535275701337 0.650705536964 0.378022925705} H24 54 1
1 {} {0.625158887095 0.505757959841 0.505585783421} H25 55 1
1 {} {0.566917567611 0.496813540113 0.52310636466} H26 56 1
1 {} {0.593961622014 0.572852457452 0.552445473681} H27 57 1
1 {} {0.632363077362 0.785044592356 0.522387697429} H28 58 1
1 {} {0.67321296748 0.720879521689 0.513595530563} H29 59 1
1 {} {0.618643258009 0.701736055158 0.551994115843} H30 60 1
1 {} {0.55415186012 0.775918942102 0.37259919256} H31 61 1
1 {} {0.665133032768 0.800287411834 0.342231332822} H32 62 1
1 {} {0.52870941258 0.437454914944 0.219125350272} H33 63 1
1 {} {0.605616944031 0.455464711069 0.170428828042} H34 64 1
1 {} {0.565223830672 0.254230907195 0.375609362083} H35 65 1
1 {} {0.508407645951 0.343048287114 0.357738898013} H36 66 1
1 {} {0.652726270848 0.342053205886 0.413690197957} H37 67 1
1 {} {0.647240559098 0.264516298136 0.288051122515} H38 68 1
1 {} {0.697758676099 0.422967104478 0.295367048123} H39 69 1
1 {} {0.687481085424 0.385092126785 0.197671441493} H40 70 1
1 {} {0.499171400714 0.28511030365 0.186533108657} H41 71 1
1 {} {0.53876594899 0.22643183641 0.193571421359} H42 72 1
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