./iterations/neb0_image06_iter149.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 {} {0.472118787607 0.232638248438 0.483336031896} O1 1 1
14 {} {0.333316410461 0.221199512167 0.567657565901} Si1 2 1
14 {} {0.608559747702 0.318948650327 0.450390157172} Si2 3 1
8 {} {0.574713119401 0.475493362807 0.43763935793} O2 4 1
8 {} {0.306598775689 0.353349366946 0.664628240232} O3 5 1
14 {} {0.28277468515 0.515606803496 0.660519576118} Si3 6 1
14 {} {0.48346730405 0.610212970896 0.447295953601} Si4 7 1
1 {} {0.333725208607 0.105538476678 0.662063669152} H1 8 1
1 {} {0.223005710689 0.213912838565 0.467620856003} H2 9 1
1 {} {0.661549105329 0.277151198159 0.320086101107} H3 10 1
1 {} {0.705184281704 0.303918263392 0.561174888311} H4 11 1
1 {} {0.138485580907 0.537709697669 0.698315990935} H5 12 1
1 {} {0.371654219931 0.587089419782 0.753766976679} H6 13 1
1 {} {0.39473562952 0.817024496937 0.505368397445} H7 14 1
1 {} {0.474310974684 0.660373773811 0.306123823349} H8 15 1
1 {} {0.582155348658 0.69819915779 0.520470091166} H10 16 1
8 {} {0.331636091133 0.570563877371 0.510881179822} O 17 1
1 {} {0.332094990535 0.773587726408 0.513719153362} 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