./iterations/neb0_image07_iter11.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.469442463008 0.224142412685 0.487471139651} O1 1 1
14 {} {0.333045271358 0.223885751917 0.576044388128} Si1 2 1
14 {} {0.603918084714 0.306655281063 0.440715353772} Si2 3 1
8 {} {0.561026499987 0.457052603226 0.387902395567} O2 4 1
8 {} {0.329722967598 0.362047606457 0.674052739604} O3 5 1
14 {} {0.288178826056 0.51829577571 0.683667207097} Si3 6 1
14 {} {0.500659670524 0.608599442462 0.437902482462} Si4 7 1
1 {} {0.334727038182 0.110786982435 0.670054154115} H1 8 1
1 {} {0.216141694074 0.225146429759 0.484930827578} H2 9 1
1 {} {0.66438240049 0.233685385566 0.326596246286} H3 10 1
1 {} {0.698134801952 0.320828222505 0.555441975223} H4 11 1
1 {} {0.133014940854 0.517786262273 0.692406516796} H5 12 1
1 {} {0.344269078281 0.55906772352 0.821885442927} H6 13 1
1 {} {0.33566506171 0.822671257656 0.41868716945} H7 14 1
1 {} {0.526139007374 0.686042448347 0.30004601773} H8 15 1
1 {} {0.596596153974 0.675492740786 0.529786137288} H10 16 1
8 {} {0.351705924993 0.608267936407 0.554100492767} O 17 1
1 {} {0.323316256775 0.812063694561 0.489367318916} 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