iterations/neb0_image08_iter174.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471060943927 0.228183896968 0.492999230363} O1 1 1
14 {} {0.330030927753 0.220828633004 0.576755310501} Si1 2 1
14 {} {0.612146154569 0.300188585823 0.45003643512} Si2 3 1
8 {} {0.58861660988 0.458345105402 0.411105443026} O2 4 1
8 {} {0.314190749072 0.347824534734 0.68065461454} O3 5 1
14 {} {0.300715881275 0.51182169948 0.672710911408} Si3 6 1
14 {} {0.512075706061 0.59837485544 0.450002089887} Si4 7 1
1 {} {0.330403929055 0.0968790959861 0.658692363817} H1 8 1
1 {} {0.218292110896 0.222149074192 0.478098622699} H2 9 1
1 {} {0.663089277481 0.231061254669 0.329305659313} H3 10 1
1 {} {0.708063508504 0.290703521994 0.56385078182} H4 11 1
1 {} {0.157398127349 0.549111783711 0.661213873155} H5 12 1
1 {} {0.363507476482 0.567851041677 0.795134716153} H6 13 1
1 {} {0.315964184141 0.895013637001 0.466219693966} H7 14 1
1 {} {0.468690954426 0.665838443721 0.324885820279} H8 15 1
1 {} {0.60631091641 0.683732865987 0.527797500673} H10 16 1
8 {} {0.376970759546 0.569234176244 0.539090392662} O 17 1
1 {} {0.272558038895 0.835375666302 0.452504333697} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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