iterations/neb0_image05_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471078908689 0.276814194342 0.492712889667} O1 1 1
14 {} {0.325369228421 0.236381800325 0.5572232956} Si1 2 1
14 {} {0.61509814469 0.349265225302 0.475365929145} Si2 3 1
8 {} {0.609935013391 0.50422377405 0.528744664668} O2 4 1
8 {} {0.248014933014 0.364893416003 0.62169555062} O3 5 1
14 {} {0.230371090556 0.526047140727 0.650538494375} Si3 6 1
14 {} {0.581140301861 0.654591715087 0.465104521731} Si4 7 1
1 {} {0.344434818394 0.141103357408 0.668717845307} H1 8 1
1 {} {0.242922474503 0.177701498312 0.447133024923} H2 9 1
1 {} {0.645728054699 0.350045367755 0.32978522117} H3 10 1
1 {} {0.715198174847 0.276792059578 0.558141592255} H4 11 1
1 {} {0.126790903776 0.549853350042 0.752435144551} H5 12 1
1 {} {0.364327603952 0.570698097103 0.702124105106} H6 13 1
1 {} {0.544954544732 0.745447864789 0.57699823957} H7 14 1
1 {} {0.467621257892 0.648892177965 0.36800163429} H8 15 1
1 {} {0.699953719843 0.70121929063 0.389826924285} H10 16 1
8 {} {0.173569609566 0.608785982226 0.51856172668} O 17 1
1 {} {0.203577281465 0.589761839165 0.427947424783} 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