./iterations/neb0_image03_iter181.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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
8 {} {0.460114034388 0.262274908058 0.493438532605} O1 1 1
14 {} {0.324879299581 0.236409211977 0.582469912774} Si1 2 1
14 {} {0.583352832293 0.350059894703 0.431594474015} Si2 3 1
8 {} {0.52997536395 0.492691678776 0.372718026782} O2 4 1
8 {} {0.307608355974 0.348933423767 0.700025996012} O3 5 1
14 {} {0.261870187741 0.50460637046 0.731734425473} Si3 6 1
14 {} {0.558556412757 0.655426219249 0.363598079038} Si4 7 1
1 {} {0.338529287198 0.103755145111 0.648561311258} H1 8 1
1 {} {0.205758285113 0.239616009794 0.492186716712} H2 9 1
1 {} {0.639574173869 0.271246688106 0.319334096109} H3 10 1
1 {} {0.68318308099 0.375327467261 0.538980354519} H4 11 1
1 {} {0.11289079315 0.515208265868 0.729045265291} H5 12 1
1 {} {0.31891455143 0.536582345466 0.865059986608} H6 13 1
1 {} {0.432302481389 0.725655981225 0.325575651854} H7 14 1
1 {} {0.661357479978 0.681000342552 0.258207595739} H8 15 1
1 {} {0.608396674045 0.707964754718 0.493976818841} H10 16 1
8 {} {0.323781410494 0.609737840582 0.619745921905} O 17 1
1 {} {0.259041502013 0.656021507759 0.564804633303} 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
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
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
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end