./iterations/neb0_image03_iter209.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457800486961 0.265828227811 0.491534014611} O1 1 1
14 {} {0.32434286835 0.237540641322 0.58226480524} Si1 2 1
14 {} {0.58301738742 0.350948561756 0.430448786957} Si2 3 1
8 {} {0.53214200995 0.494552994961 0.36948026149} O2 4 1
8 {} {0.305851459154 0.349698901479 0.700661611565} O3 5 1
14 {} {0.25851769788 0.503892438384 0.73603124522} Si3 6 1
14 {} {0.563166116036 0.655945978559 0.361971098555} Si4 7 1
1 {} {0.340146592152 0.105270720951 0.649315750046} H1 8 1
1 {} {0.205728201122 0.239840056933 0.4905633068} H2 9 1
1 {} {0.640490752988 0.270481484165 0.320594643623} H3 10 1
1 {} {0.682763293519 0.376290850164 0.537226675611} H4 11 1
1 {} {0.108819264762 0.512160719441 0.734409719057} H5 12 1
1 {} {0.317264216003 0.53604665383 0.868608474625} H6 13 1
1 {} {0.435712963022 0.724961448258 0.325146277127} H7 14 1
1 {} {0.664119949455 0.682721623684 0.256109861233} H8 15 1
1 {} {0.612758070369 0.70871493687 0.492447433163} H10 16 1
8 {} {0.319313193541 0.615535368101 0.62721011171} O 17 1
1 {} {0.258131684123 0.64208645601 0.557033649815} 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