iterations/neb0_image08_iter288.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 {} {0.474511118913 0.212111095831 0.49382776304} O1 1 1
14 {} {0.334623447216 0.214249303651 0.579797943087} Si1 2 1
14 {} {0.610654282148 0.293538379772 0.453427423369} Si2 3 1
8 {} {0.580791992601 0.452920222034 0.430866568031} O2 4 1
8 {} {0.318314160595 0.354521589417 0.663667372391} O3 5 1
14 {} {0.296353308749 0.517154126054 0.657338650252} Si3 6 1
14 {} {0.504776938659 0.596845931721 0.442904694079} Si4 7 1
1 {} {0.336051716437 0.104562122181 0.678984643424} H1 8 1
1 {} {0.22320889257 0.201386128436 0.482927370328} H2 9 1
1 {} {0.663353701461 0.23915599472 0.325509299981} H3 10 1
1 {} {0.709076878946 0.278515060661 0.563869262319} H4 11 1
1 {} {0.150745176869 0.547446578107 0.659727134083} H5 12 1
1 {} {0.367422543031 0.576928756294 0.773551450142} H6 13 1
1 {} {0.318555576217 0.912204676191 0.468929827293} H7 14 1
1 {} {0.477631884406 0.6503999395 0.307252005661} H8 15 1
1 {} {0.59146143315 0.688276648769 0.521405223533} H10 16 1
8 {} {0.359037132482 0.578905821492 0.518741106573} O 17 1
1 {} {0.293515952288 0.853395447509 0.508330049293} 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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end