iterations/neb0_image08_iter187.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 {} {0.471044658878 0.227824714164 0.493244103507} O1 1 1
14 {} {0.330008838527 0.220419815542 0.576622332473} Si1 2 1
14 {} {0.611974078604 0.299504017008 0.450011418191} Si2 3 1
8 {} {0.58934519307 0.457877426699 0.412678212705} O2 4 1
8 {} {0.313773188309 0.348011735462 0.679469030538} O3 5 1
14 {} {0.300604302734 0.512068632087 0.671933798977} Si3 6 1
14 {} {0.512560936244 0.597898714163 0.449882856166} Si4 7 1
1 {} {0.33100318175 0.0974192586764 0.659218814814} H1 8 1
1 {} {0.218321030677 0.221442028837 0.478078771135} H2 9 1
1 {} {0.663477576504 0.231100142369 0.32876739234} H3 10 1
1 {} {0.708069765265 0.290704575965 0.563411570161} H4 11 1
1 {} {0.157265456807 0.549863564079 0.6618464668} H5 12 1
1 {} {0.363319308235 0.567924678981 0.794400334338} H6 13 1
1 {} {0.314762611727 0.897421329573 0.469191116742} H7 14 1
1 {} {0.470403679135 0.662315478801 0.323466704869} H8 15 1
1 {} {0.604893045191 0.684573622135 0.527676281961} H10 16 1
8 {} {0.377299956677 0.568535255115 0.538330168853} O 17 1
1 {} {0.271959453593 0.837612878542 0.452828414062} 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