iterations/neb0_image02_iter63.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image02

@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 {} {0.468324631268 0.23627934236 0.475537128984} O1 1 1
14 {} {0.329628327484 0.24414487762 0.563416633888} Si1 2 1
14 {} {0.595819162689 0.330631894646 0.43182836435} Si2 3 1
8 {} {0.543803723558 0.474713616848 0.37431384106} O2 4 1
8 {} {0.332084089041 0.376106272196 0.66138360322} O3 5 1
14 {} {0.266841746935 0.517095140076 0.715002114589} Si3 6 1
14 {} {0.528617957482 0.638219361397 0.380276681961} Si4 7 1
1 {} {0.323026756311 0.122680013004 0.649216144814} H1 8 1
1 {} {0.212986487812 0.252205322728 0.470766801311} H2 9 1
1 {} {0.666415286403 0.260205745911 0.322003447366} H3 10 1
1 {} {0.682826618451 0.354577234928 0.550435872149} H4 11 1
1 {} {0.121269370441 0.497176945931 0.73722433732} H5 12 1
1 {} {0.340455125925 0.555704039451 0.838664924173} H6 13 1
1 {} {0.387021752064 0.677049617691 0.357499051026} H7 14 1
1 {} {0.614764536089 0.698125803909 0.274492229254} H8 15 1
1 {} {0.576387105629 0.691059504755 0.5125796303} H10 16 1
8 {} {0.281100593522 0.635512500435 0.600348347525} O 17 1
1 {} {0.338712857656 0.711030727986 0.61606883223} 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