./iterations/neb0_image03_iter235.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 {} {0.456042074097 0.267037081983 0.489694945016} O1 1 1
14 {} {0.323495105282 0.238957860619 0.582102799596} Si1 2 1
14 {} {0.583352815539 0.350730773021 0.429893282994} Si2 3 1
8 {} {0.534179112918 0.494697303694 0.368423551542} O2 4 1
8 {} {0.304049218783 0.352157328237 0.698581286948} O3 5 1
14 {} {0.256007503341 0.504448006886 0.738038127621} Si3 6 1
14 {} {0.564003411829 0.657204653405 0.361576835265} Si4 7 1
1 {} {0.34083495017 0.107258036803 0.648841412583} H1 8 1
1 {} {0.20677862991 0.239734948236 0.489737818987} H2 9 1
1 {} {0.642879340366 0.269381620769 0.320219102212} H3 10 1
1 {} {0.683155255552 0.375637880401 0.5381096182} H4 11 1
1 {} {0.107409336286 0.508152774406 0.739165738767} H5 12 1
1 {} {0.316974511373 0.536944285731 0.869088622445} H6 13 1
1 {} {0.435851856383 0.724085857181 0.328098073916} H7 14 1
1 {} {0.664943236215 0.684760498422 0.255073667708} H8 15 1
1 {} {0.616992084755 0.707936114769 0.491245817937} H10 16 1
8 {} {0.31197348168 0.618195265608 0.631584661649} O 17 1
1 {} {0.261164259793 0.63519777719 0.551582294357} 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