./iterations/neb0_image07_iter135.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469953176917 0.228822851703 0.491919069899} O1 1 1
14 {} {0.330000508165 0.222315268605 0.578065765508} Si1 2 1
14 {} {0.606745450458 0.308631500356 0.448285040044} Si2 3 1
8 {} {0.578574002453 0.466758037443 0.410856637525} O2 4 1
8 {} {0.319855809211 0.351929733651 0.679435233427} O3 5 1
14 {} {0.296722401889 0.514573486653 0.667027976157} Si3 6 1
14 {} {0.502463569856 0.606712479336 0.448001780098} Si4 7 1
1 {} {0.33135816776 0.0993858967472 0.66037006425} H1 8 1
1 {} {0.21557654219 0.221866196137 0.483035754661} H2 9 1
1 {} {0.659377397175 0.240605809959 0.326440538459} H3 10 1
1 {} {0.704472236588 0.306917565763 0.561700899868} H4 11 1
1 {} {0.150801744522 0.543512756398 0.661229073827} H5 12 1
1 {} {0.362510345143 0.578717969656 0.784475732938} H6 13 1
1 {} {0.348519015319 0.846063912276 0.450527506906} H7 14 1
1 {} {0.464296555658 0.675234011957 0.322830405369} H8 15 1
1 {} {0.590744385787 0.691300253323 0.53274984118} H10 16 1
8 {} {0.362539097289 0.572052315829 0.528851976655} O 17 1
1 {} {0.315575669035 0.797117846044 0.495254623099} 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