iterations/neb0_image04_iter23.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470017050423 0.227211601511 0.482315181511} O1 1 1
14 {} {0.332119304663 0.238170818881 0.573506404136} Si1 2 1
14 {} {0.596917130699 0.323439191791 0.436623363606} Si2 3 1
8 {} {0.541091512077 0.477179785495 0.389552258872} O2 4 1
8 {} {0.331543599142 0.376312813722 0.660993709963} O3 5 1
14 {} {0.277151814813 0.523110158994 0.701708295857} Si3 6 1
14 {} {0.509523348202 0.644346664704 0.402504891344} Si4 7 1
1 {} {0.329636785559 0.1149620526 0.661619209834} H1 8 1
1 {} {0.214985394763 0.234910016972 0.478748648627} H2 9 1
1 {} {0.665703830784 0.242107325849 0.32793505972} H3 10 1
1 {} {0.693225426887 0.33018082002 0.553522046288} H4 11 1
1 {} {0.131782188078 0.514578218696 0.70765627053} H5 12 1
1 {} {0.340860441876 0.555254083859 0.828034572665} H6 13 1
1 {} {0.380898608091 0.746604512513 0.391225304749} H7 14 1
1 {} {0.567221163542 0.690128302809 0.27474994491} H8 15 1
1 {} {0.583281534784 0.678283291543 0.526283250062} H10 16 1
8 {} {0.326966518933 0.632959811919 0.579094068157} O 17 1
1 {} {0.317160480083 0.722778491404 0.554985528435} 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