./iterations/neb0_image07_iter269.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.479546998397 0.210369436954 0.502070998177} O1 1 1
14 {} {0.337879661187 0.211039749953 0.585498346079} Si1 2 1
14 {} {0.613165791942 0.293866645225 0.455087913515} Si2 3 1
8 {} {0.580670150978 0.452440473377 0.430493942266} O2 4 1
8 {} {0.314476022394 0.353888370984 0.663623384569} O3 5 1
14 {} {0.290051297694 0.515720736495 0.647115999683} Si3 6 1
14 {} {0.49673862076 0.59275188764 0.430423117604} Si4 7 1
1 {} {0.341349531297 0.105662770243 0.69080851737} H1 8 1
1 {} {0.228633519747 0.187740941864 0.486258326627} H2 9 1
1 {} {0.661818579043 0.236600491059 0.327040761906} H3 10 1
1 {} {0.715339528445 0.281414438579 0.562160816131} H4 11 1
1 {} {0.143935048378 0.54198662906 0.647655242315} H5 12 1
1 {} {0.362173711631 0.583485654441 0.758775630956} H6 13 1
1 {} {0.338391861007 0.9252119783 0.496936875714} H7 14 1
1 {} {0.470065103976 0.636505269511 0.291638570507} H8 15 1
1 {} {0.577279363223 0.693945735084 0.504895312414} H10 16 1
8 {} {0.350089484613 0.571176328742 0.503011345679} O 17 1
1 {} {0.308481517401 0.87871031207 0.547562592271} 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