iterations/neb0_image08_iter124.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.471156002415 0.220582284546 0.489707347451} O1 1 1
14 {} {0.331936350929 0.22069838581 0.577193025325} Si1 2 1
14 {} {0.604736773011 0.305626182316 0.445521694383} Si2 3 1
8 {} {0.566107612831 0.459457260547 0.402315150083} O2 4 1
8 {} {0.326039845457 0.350642539917 0.678511317161} O3 5 1
14 {} {0.299828425043 0.513319665317 0.675701923454} Si3 6 1
14 {} {0.507551195459 0.604087677294 0.453415129109} Si4 7 1
1 {} {0.328777434279 0.0983307011393 0.66118801989} H1 8 1
1 {} {0.216538210162 0.22668086296 0.482890799473} H2 9 1
1 {} {0.66259399487 0.239119167414 0.326117608035} H3 10 1
1 {} {0.700309302333 0.312468190095 0.560051464679} H4 11 1
1 {} {0.153937250747 0.540170030957 0.664998626863} H5 12 1
1 {} {0.357266775064 0.569354623173 0.800998793556} H6 13 1
1 {} {0.332517914599 0.858628430818 0.424556413473} H7 14 1
1 {} {0.472931110272 0.680121816322 0.330860251281} H8 15 1
1 {} {0.609085825617 0.675954108962 0.536231036758} H10 16 1
8 {} {0.371679597907 0.581123468987 0.544541323358} O 17 1
1 {} {0.297092549146 0.816152580613 0.476258008209} H14 18 1
@end
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	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
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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2 0 0 0
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5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
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	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
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@end
@data
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8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
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11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end