iterations/neb0_image04_iter207.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 {} {0.465333523679 0.256178714226 0.48790001413} O1 1 1
14 {} {0.325502510102 0.229274516537 0.569766666924} Si1 2 1
14 {} {0.593434920759 0.348632769987 0.444781037193} Si2 3 1
8 {} {0.548762644684 0.502762338177 0.419705201438} O2 4 1
8 {} {0.290580983684 0.348964518481 0.676344749705} O3 5 1
14 {} {0.248923570669 0.505670543066 0.704541745582} Si3 6 1
14 {} {0.569862295131 0.664370072819 0.399592058134} Si4 7 1
1 {} {0.341970248749 0.104145171268 0.648930679032} H1 8 1
1 {} {0.216646561043 0.21681094316 0.468883133263} H2 9 1
1 {} {0.647672708909 0.291199049082 0.318798359564} H3 10 1
1 {} {0.69610859625 0.34456710197 0.552982405149} H4 11 1
1 {} {0.105838218005 0.515661065359 0.74991183128} H5 12 1
1 {} {0.343204869252 0.557228802866 0.808144488512} H6 13 1
1 {} {0.440692347726 0.732087200795 0.425025502831} H7 14 1
1 {} {0.61219866311 0.691495741194 0.25980960928} H8 15 1
1 {} {0.675724149251 0.713561149279 0.493000864631} H10 16 1
8 {} {0.269766776018 0.585242658332 0.560170554757} O 17 1
1 {} {0.217862423814 0.664665505037 0.542769247196} 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