iterations/neb0_image06_iter95.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470731773385 0.223410775453 0.490764278347} O1 1 1
14 {} {0.330576150027 0.223007718625 0.578235548542} Si1 2 1
14 {} {0.595248587798 0.321042762418 0.445731628514} Si2 3 1
8 {} {0.548563955449 0.471965030624 0.408022034456} O2 4 1
8 {} {0.325244733672 0.352900845622 0.679606065118} O3 5 1
14 {} {0.29442595177 0.514850459773 0.676976807012} Si3 6 1
14 {} {0.496813848052 0.621722393276 0.446923810337} Si4 7 1
1 {} {0.32711005202 0.0995176172354 0.661549000789} H1 8 1
1 {} {0.2147863026 0.230376188492 0.484112314926} H2 9 1
1 {} {0.653874016909 0.268041466002 0.320558680961} H3 10 1
1 {} {0.691642555015 0.327447303303 0.559311131732} H4 11 1
1 {} {0.147610010743 0.540330069167 0.66952613313} H5 12 1
1 {} {0.355611576461 0.572212886923 0.799835927684} H6 13 1
1 {} {0.366947079262 0.796759094123 0.438572267302} H7 14 1
1 {} {0.504277493173 0.678574915097 0.306238983762} H8 15 1
1 {} {0.594766009848 0.695264225773 0.531764645615} H10 16 1
8 {} {0.362001790191 0.583725258013 0.542966260058} O 17 1
1 {} {0.329854211912 0.751368963914 0.490362482871} 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