iterations/neb0_image07_iter296.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.482283846572 0.202282092943 0.502501160766} O1 1 1
14 {} {0.339849368901 0.211809739045 0.585595354253} Si1 2 1
14 {} {0.609482603978 0.294687202456 0.456466168888} Si2 3 1
8 {} {0.562731192508 0.450113148968 0.43871554615} O2 4 1
8 {} {0.320351070416 0.361153190129 0.646909608993} O3 5 1
14 {} {0.289090749462 0.522976990144 0.649657044893} Si3 6 1
14 {} {0.496593850922 0.598091485747 0.435076833162} Si4 7 1
1 {} {0.341388761799 0.115654704425 0.699816012394} H1 8 1
1 {} {0.231184759033 0.179716466985 0.488737100464} H2 9 1
1 {} {0.658877323713 0.247597791162 0.324456685465} H3 10 1
1 {} {0.713976864135 0.287032109898 0.56221281225} H4 11 1
1 {} {0.141870733564 0.542779012203 0.654290453854} H5 12 1
1 {} {0.35301890484 0.580121217924 0.77074996387} H6 13 1
1 {} {0.34434404299 0.895164950407 0.475549793808} H7 14 1
1 {} {0.470116691963 0.636819616374 0.294765959563} H8 15 1
1 {} {0.594571550029 0.691034532393 0.498901204304} H10 16 1
8 {} {0.352581930479 0.594299843946 0.51542851007} O 17 1
1 {} {0.307771491383 0.861183878845 0.531227537639} H14 18 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
{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
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@data
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14 6 0 0
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4 1 0 0
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7 1 0 0
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6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@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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7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end