./iterations/neb0_image08_iter198.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 {} {0.471240165173 0.227152054193 0.493381211675} O1 1 1
14 {} {0.33012954541 0.219550720824 0.576594192401} Si1 2 1
14 {} {0.613006159393 0.298615813632 0.450199417266} Si2 3 1
8 {} {0.591238628587 0.456991260574 0.414662855322} O2 4 1
8 {} {0.313403758814 0.348617156365 0.677846500769} O3 5 1
14 {} {0.300021555659 0.512169648307 0.671837805463} Si3 6 1
14 {} {0.5123529978 0.597344336518 0.449163833213} Si4 7 1
1 {} {0.331231084189 0.096316861576 0.660258011733} H1 8 1
1 {} {0.218442641485 0.219868098395 0.477469283112} H2 9 1
1 {} {0.663800080606 0.231202962123 0.327954325474} H3 10 1
1 {} {0.708554479101 0.288730569991 0.563918150564} H4 11 1
1 {} {0.156673479149 0.551339597197 0.66110208806} H5 12 1
1 {} {0.364692049476 0.568177437456 0.793735395627} H6 13 1
1 {} {0.312603736404 0.902016826923 0.473128145669} H7 14 1
1 {} {0.471270006677 0.658137575396 0.319981634736} H8 15 1
1 {} {0.603345255996 0.685859975381 0.528339162237} H10 16 1
8 {} {0.376794244193 0.568586824396 0.536406856299} O 17 1
1 {} {0.27128639042 0.841840143863 0.455078882648} 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