iterations/neb0_image08_iter34.sci output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)

Status: terminated
#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
6 {} {0.222217347435 0.525578070257 0.337570687361} C1 1 1
14 {} {0.275926524778 0.488458470725 0.295655981187} Si1 2 1
14 {} {0.175655479923 0.534075832932 0.256654766093} Si2 3 1
8 {} {0.288624160616 0.520966603423 0.197575896883} O1 4 1
8 {} {0.315144139504 0.509960477017 0.36737863313} O2 5 1
6 {} {0.274257077354 0.395267876273 0.289021282484} C2 6 1
6 {} {0.144081951107 0.454393036828 0.23887964535} C3 7 1
8 {} {0.200145982929 0.560496463181 0.162591103576} O3 8 1
8 {} {0.140219090788 0.594836011719 0.284105953937} O4 9 1
14 {} {0.366837564485 0.53784519356 0.371001814721} Si3 10 1
7 {} {0.399866252375 0.472531546556 0.411670678758} N1 11 1
14 {} {0.451077774332 0.469954159712 0.359475398641} Si4 12 1
14 {} {0.381211494016 0.419864998586 0.497430478036} Si5 13 1
7 {} {0.352555817899 0.458125284563 0.582967237765} N2 14 1
7 {} {0.459831291166 0.558170462614 0.348070260115} N3 15 1
1 {} {0.210681117625 0.496980632513 0.396104727965} H1 16 1
1 {} {0.230278199563 0.576387358429 0.361639732317} H2 17 1
1 {} {0.263313632781 0.541770709984 0.167046419424} H3 18 1
1 {} {0.269033075111 0.372165091831 0.354721242096} H4 19 1
1 {} {0.305938209863 0.376144703624 0.262266221777} H5 20 1
1 {} {0.247479484447 0.378355036846 0.244249830278} H6 21 1
1 {} {0.117551277695 0.460685557065 0.188888387535} H7 22 1
1 {} {0.128493594299 0.436799488763 0.301138014377} H8 23 1
1 {} {0.166359130632 0.414383400663 0.215374436589} H9 24 1
1 {} {0.181451138597 0.583070318733 0.119282289926} H10 25 1
1 {} {0.111849865883 0.582349152664 0.309964236662} H11 26 1
1 {} {0.383002999856 0.557421096984 0.281222483863} H12 27 1
1 {} {0.366797916573 0.596590274634 0.433165332958} H13 28 1
1 {} {0.480470700001 0.427744013021 0.41955810385} H14 29 1
1 {} {0.456741213021 0.445677454981 0.267095924794} H15 30 1
1 {} {0.349869840578 0.36990657131 0.457066777314} H16 31 1
1 {} {0.421559499211 0.386384180839 0.535480409111} H17 32 1
1 {} {0.321107443795 0.475174838476 0.571095070178} H18 33 1
1 {} {0.36862298204 0.489119231159 0.626168037124} H19 34 1
1 {} {0.493676165973 0.564882065712 0.324055957841} H20 35 1
1 {} {0.456118709335 0.580563895643 0.409367103528} H21 36 1
6 {} {0.643810723116 0.642350352731 0.47517447044} C4 37 1
14 {} {0.604788169779 0.578975397558 0.434089315354} Si6 38 1
14 {} {0.636681939886 0.728080405597 0.429516659142} Si7 39 1
8 {} {0.593990806809 0.58616625543 0.325455186839} O5 40 1
8 {} {0.620747294081 0.501422184781 0.450965171115} O6 41 1
6 {} {0.552671502433 0.585358120924 0.497889261273} C5 42 1
6 {} {0.58813746611 0.777095940804 0.474680055046} C6 43 1
8 {} {0.631767096392 0.716034583773 0.319408450246} O7 44 1
8 {} {0.683776134776 0.770371553788 0.444768559724} O8 45 1
14 {} {0.629204007319 0.423124748692 0.42388492394} Si8 46 1
7 {} {0.583367343489 0.371479514038 0.44157188706} N4 47 1
14 {} {0.56396243273 0.322148574366 0.353484275446} Si9 48 1
14 {} {0.558878323649 0.368051421005 0.548757175031} Si10 49 1
7 {} {0.594498377255 0.386748137577 0.634527645755} N5 50 1
7 {} {0.598583660234 0.259358476349 0.315166161405} N6 51 1
1 {} {0.635377314452 0.641946920472 0.54695622611} H22 52 1
1 {} {0.678265930115 0.625143413138 0.464280274716} H23 53 1
1 {} {0.606813121373 0.625872139341 0.296855001316} H24 54 1
1 {} {0.551438858826 0.580966533269 0.571452195957} H25 55 1
1 {} {0.541610550795 0.535979872606 0.469016962502} H26 56 1
1 {} {0.531789752398 0.627088612603 0.473700583241} H27 57 1
1 {} {0.587300057171 0.827592352318 0.445246847483} H28 58 1
1 {} {0.59009221709 0.782912870888 0.547586801928} H29 59 1
1 {} {0.555932154725 0.753266602101 0.459533513712} H30 60 1
1 {} {0.6391571014 0.75347385911 0.280999289259} H31 61 1
1 {} {0.683687921948 0.804379807683 0.490743646497} H32 62 1
1 {} {0.640285112186 0.41848760455 0.326313802113} H33 63 1
1 {} {0.668341434049 0.402958737726 0.47862221021} H34 64 1
1 {} {0.522065139355 0.290292922835 0.386193526537} H35 65 1
1 {} {0.555613615675 0.365400046391 0.273761592662} H36 66 1
1 {} {0.522128516722 0.417621819335 0.557541592111} H37 67 1
1 {} {0.54149068943 0.298473232083 0.559956607498} H38 68 1
1 {} {0.600380411055 0.435480186693 0.650300203868} H39 69 1
1 {} {0.621479710042 0.357793998058 0.648836567783} H40 70 1
1 {} {0.623292227932 0.270694968172 0.271338352097} H41 71 1
1 {} {0.608222596255 0.22163121681 0.356232562576} H42 72 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
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@end
@Columns AsymmetricBond
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	Atom2	reference	AsymmetricAtom
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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@end
@Columns Subset
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@data
@end