iterations/neb0_image09_iter140.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 {} {0.471949423885 0.215527730529 0.494320955579} O1 1 1
14 {} {0.334484317409 0.215889510984 0.583902844399} Si1 2 1
14 {} {0.604221062508 0.299379062265 0.444260804402} Si2 3 1
8 {} {0.564594290906 0.452537072442 0.400120363432} O2 4 1
8 {} {0.325865056273 0.351559809361 0.677773714514} O3 5 1
14 {} {0.298193776358 0.513470405191 0.671789059565} Si3 6 1
14 {} {0.508678871497 0.598439282643 0.451989057971} Si4 7 1
1 {} {0.337558838875 0.0984923236546 0.674527710687} H1 8 1
1 {} {0.217705448705 0.211731792446 0.491347912731} H2 9 1
1 {} {0.659150366296 0.229884844775 0.325447816693} H3 10 1
1 {} {0.702794393707 0.30607778074 0.555670335343} H4 11 1
1 {} {0.152646220579 0.540047069534 0.656794372838} H5 12 1
1 {} {0.353402401105 0.571982999679 0.796771207161} H6 13 1
1 {} {0.321442854581 0.890992834251 0.418957248826} H7 14 1
1 {} {0.473843879904 0.677366878744 0.331600743553} H8 15 1
1 {} {0.612919828579 0.664807378254 0.535428844762} H10 16 1
8 {} {0.372441040459 0.580744813376 0.541350745793} O 17 1
1 {} {0.298194065081 0.853586367772 0.479004154241} 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