./iterations/neb0_image09_iter221.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472063883031 0.215341923219 0.493901897379} O1 1 1
14 {} {0.333397685544 0.215016179106 0.581758107089} Si1 2 1
14 {} {0.606136594445 0.296979176554 0.44493003616} Si2 3 1
8 {} {0.569619455237 0.451669553537 0.403111981433} O2 4 1
8 {} {0.322747809607 0.349467283167 0.676542268957} O3 5 1
14 {} {0.300021494678 0.512310911196 0.672865850028} Si3 6 1
14 {} {0.511386513623 0.59719579064 0.452515849376} Si4 7 1
1 {} {0.334704188626 0.0968386415035 0.671445686812} H1 8 1
1 {} {0.218641050834 0.211678911238 0.48682623566} H2 9 1
1 {} {0.659182673304 0.228726385903 0.324354545818} H3 10 1
1 {} {0.70538549723 0.299221247723 0.556257690198} H4 11 1
1 {} {0.15503545342 0.542485685569 0.659317454967} H5 12 1
1 {} {0.357243127573 0.567965256919 0.798471920422} H6 13 1
1 {} {0.317202126703 0.911326901481 0.430023891685} H7 14 1
1 {} {0.474351401279 0.67379565866 0.331243014592} H8 15 1
1 {} {0.614769871014 0.666486783527 0.534480119855} H10 16 1
8 {} {0.375327388248 0.578908919616 0.543136773621} O 17 1
1 {} {0.282869895444 0.85710274141 0.469874327612} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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