./iterations/neb0_image06_iter72.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 {} {0.468455531446 0.221566052671 0.486225820626} O1 1 1
14 {} {0.330861619646 0.226159999409 0.576511695681} Si1 2 1
14 {} {0.593967022367 0.319115623438 0.443350443597} Si2 3 1
8 {} {0.540980969605 0.468473764907 0.407662815607} O2 4 1
8 {} {0.327644780795 0.356288912116 0.677070747622} O3 5 1
14 {} {0.295390162812 0.517229764568 0.681051303463} Si3 6 1
14 {} {0.498959373697 0.619419575779 0.450739062284} Si4 7 1
1 {} {0.328125534029 0.10645237978 0.663196524715} H1 8 1
1 {} {0.215823149237 0.231674206075 0.482631465576} H2 9 1
1 {} {0.656492470328 0.267569344472 0.318911433188} H3 10 1
1 {} {0.689389639994 0.334468266279 0.557107770555} H4 11 1
1 {} {0.148424815724 0.53909824483 0.675564174399} H5 12 1
1 {} {0.349419022496 0.56989669196 0.809018987534} H6 13 1
1 {} {0.369173611953 0.785670223254 0.425555478089} H7 14 1
1 {} {0.504554063726 0.681732767348 0.312677248846} H8 15 1
1 {} {0.598673809522 0.692295661253 0.533676153995} H10 16 1
8 {} {0.365404283037 0.58951620425 0.550798734239} O 17 1
1 {} {0.328346247149 0.745890272172 0.479308126141} 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