./iterations/neb0_image06_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.471594249704 0.245333170091 0.491149916456} O1 1 1
14 {} {0.326454385663 0.219094086845 0.561589694848} Si1 2 1
14 {} {0.60871042568 0.331270249785 0.467581008263} Si2 3 1
8 {} {0.580547362167 0.486793806551 0.512308550691} O2 4 1
8 {} {0.269942309301 0.353946100252 0.636105051307} O3 5 1
14 {} {0.279023907286 0.517177842986 0.653012255973} Si3 6 1
14 {} {0.491873836662 0.613689275461 0.455730534285} Si4 7 1
1 {} {0.339436825501 0.114350382227 0.667295777776} H1 8 1
1 {} {0.232730345763 0.180239644944 0.452514291511} H2 9 1
1 {} {0.643609700468 0.330408073025 0.323844704835} H3 10 1
1 {} {0.717304845542 0.278633044992 0.554452393693} H4 11 1
1 {} {0.144876321403 0.556086796569 0.710546046207} H5 12 1
1 {} {0.382918488558 0.567551840051 0.748379511121} H6 13 1
1 {} {0.394052717613 0.798309646376 0.512434834954} H7 14 1
1 {} {0.474428125391 0.622284920589 0.307786302752} H8 15 1
1 {} {0.59459926962 0.722519089577 0.482016535688} H10 16 1
8 {} {0.327334552289 0.578311435564 0.507034236708} O 17 1
1 {} {0.330648359157 0.756518674753 0.487276633314} 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