./iterations/neb0_image09_iter51.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472525513323 0.211789081104 0.494003772655} O1 1 1
14 {} {0.33601765834 0.21630334043 0.586499039403} Si1 2 1
14 {} {0.602870735377 0.298689198639 0.445095958708} Si2 3 1
8 {} {0.560032265494 0.451821844944 0.402112649313} O2 4 1
8 {} {0.329630426276 0.354981160417 0.674576526025} O3 5 1
14 {} {0.296164735796 0.516486905928 0.669478642199} Si3 6 1
14 {} {0.50655383976 0.598917449142 0.451245604325} Si4 7 1
1 {} {0.340832728895 0.103042617619 0.682576595455} H1 8 1
1 {} {0.217561466684 0.208769196326 0.495994692043} H2 9 1
1 {} {0.658451716239 0.23149100328 0.325120693844} H3 10 1
1 {} {0.702365594397 0.307826310864 0.555878172371} H4 11 1
1 {} {0.149616993863 0.538210718664 0.656191506715} H5 12 1
1 {} {0.350527568127 0.576781076069 0.794083748171} H6 13 1
1 {} {0.323566031302 0.877722359439 0.413106751256} H7 14 1
1 {} {0.477767893401 0.676966835693 0.328540744833} H8 15 1
1 {} {0.610149251331 0.664195129787 0.536261192427} H10 16 1
8 {} {0.367988345045 0.586039116686 0.538292341152} O 17 1
1 {} {0.307463400378 0.852484603907 0.481999363298} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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