./iterations/neb0_image01_iter23.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 {{}}
Site int 1
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@data
6 {} {0.358167364404 0.546641281198 0.413970087964} C1 1 1
14 {} {0.334721726774 0.52008367057 0.524741088744} Si1 2 1
14 {} {0.419839107667 0.557451939718 0.409667171907} Si2 3 1
8 {} {0.347941461811 0.576862203236 0.600728614499} O1 4 1
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6 {} {0.4510259533 0.477223775206 0.395060260256} C3 7 1
8 {} {0.432769231906 0.592186694499 0.508695192254} O3 8 1
8 {} {0.432984154539 0.608890344538 0.326725676212} O4 9 1
14 {} {0.229363749191 0.522725414567 0.558984926219} Si3 10 1
7 {} {0.209760403941 0.444752471882 0.593110859066} N1 11 1
14 {} {0.187277796363 0.436480124412 0.700556283722} Si4 12 1
14 {} {0.210280945346 0.377068892912 0.518050151561} Si5 13 1
7 {} {0.204235105814 0.398181082145 0.407630965179} N2 14 1
7 {} {0.136887240717 0.475520499615 0.720759872428} N3 15 1
1 {} {0.348114863595 0.510852191207 0.361723909136} H1 16 1
1 {} {0.342506558262 0.594979833929 0.397004237328} H2 17 1
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1 {} {0.441456499291 0.452903122651 0.332107736094} H8 23 1
1 {} {0.444854123141 0.441695860623 0.449582349092} H9 24 1
1 {} {0.46346117118 0.607163664443 0.514898550529} H10 25 1
1 {} {0.464957769151 0.612031147415 0.315361877784} H11 26 1
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1 {} {0.253580749151 0.340437228943 0.523888663547} H16 31 1
1 {} {0.172707035676 0.332404709646 0.544707267509} H17 32 1
1 {} {0.231217038257 0.412853346496 0.371612851588} H18 33 1
1 {} {0.176247673936 0.421611134968 0.385512204459} H19 34 1
1 {} {0.136091412518 0.525092700666 0.735768623645} H20 35 1
1 {} {0.108857616834 0.46170220406 0.687312785737} H21 36 1
6 {} {0.632687337596 0.645985600633 0.348978514505} C4 37 1
14 {} {0.589565076146 0.583499248864 0.386366427373} Si6 38 1
14 {} {0.627041907641 0.734478109772 0.38549901829} Si7 39 1
8 {} {0.539236094455 0.61890204933 0.380661890938} O5 40 1
8 {} {0.59038467297 0.518945143009 0.319303346493} O6 41 1
6 {} {0.600625201635 0.551581130412 0.501290257079} C5 42 1
6 {} {0.645222551895 0.751507461136 0.502661401329} C6 43 1
8 {} {0.572210644475 0.74930157373 0.373960862469} O7 44 1
8 {} {0.65481597895 0.783820084564 0.31560229882} O8 45 1
14 {} {0.58401215914 0.458675898539 0.24625112646} Si8 46 1
7 {} {0.596504363045 0.380523214935 0.289205352025} N4 47 1
14 {} {0.552961475071 0.324258394865 0.312816880207} Si9 48 1
14 {} {0.651118144121 0.355223611097 0.314563032218} Si10 49 1
7 {} {0.692128127329 0.401391022461 0.263445180016} N5 50 1
7 {} {0.528971707528 0.281117100556 0.225811588375} N6 51 1
1 {} {0.666081845077 0.627615505769 0.367686008141} H22 52 1
1 {} {0.631914782382 0.646790032193 0.275337265273} H23 53 1
1 {} {0.541353620663 0.667969160107 0.375912544389} H24 54 1
1 {} {0.632729193248 0.525001391204 0.504074916191} H25 55 1
1 {} {0.57450491709 0.516057777536 0.521607157496} H26 56 1
1 {} {0.60150637715 0.592139237983 0.550840685657} H27 57 1
1 {} {0.639960985614 0.804293313682 0.520826985133} H28 58 1
1 {} {0.680816170369 0.740099861524 0.512017964671} H29 59 1
1 {} {0.626222437955 0.720948329763 0.55039191244} H30 60 1
1 {} {0.561799855484 0.795173191803 0.371048348911} H31 61 1
1 {} {0.672739225959 0.819507196906 0.340647922185} H32 62 1
1 {} {0.536333963064 0.45664262504 0.21756613913} H33 63 1
1 {} {0.613191276093 0.474694070871 0.16869850341} H34 64 1
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1 {} {0.660329197286 0.361310539015 0.412094371052} H37 67 1
1 {} {0.6548831267 0.283767107956 0.286459119812} H38 68 1
1 {} {0.705383577357 0.442214811444 0.293729909177} H39 69 1
1 {} {0.69508171069 0.40434488884 0.196092039241} H40 70 1
1 {} {0.506777332401 0.304320625746 0.184952816209} H41 71 1
1 {} {0.546386887406 0.245639453611 0.191935671785} H42 72 1
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