./iterations/neb0_image08_iter19.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470951006505 0.219765343427 0.490028582906} O1 1 1
14 {} {0.334293517085 0.222686778466 0.582153241421} Si1 2 1
14 {} {0.603062922475 0.305454219249 0.441747481687} Si2 3 1
8 {} {0.55637699055 0.457203282467 0.396503067288} O2 4 1
8 {} {0.329144082103 0.358734787733 0.673631844111} O3 5 1
14 {} {0.29416037286 0.519805984196 0.673283570554} Si3 6 1
14 {} {0.502066993386 0.605093977518 0.444869147722} Si4 7 1
1 {} {0.337856978225 0.10718400607 0.676240622911} H1 8 1
1 {} {0.216389304049 0.217741127444 0.489497852903} H2 9 1
1 {} {0.662077706462 0.231236879276 0.326298149198} H3 10 1
1 {} {0.70024569003 0.314929985573 0.555394510032} H4 11 1
1 {} {0.1417502646 0.526154811225 0.678519937978} H5 12 1
1 {} {0.34440556613 0.565596381428 0.809267796923} H6 13 1
1 {} {0.330113374191 0.846549784257 0.412884639773} H7 14 1
1 {} {0.504562457425 0.677895023393 0.31607007959} H8 15 1
1 {} {0.602334667607 0.670655601596 0.532286332699} H10 16 1
8 {} {0.364401907333 0.59308920051 0.543195683704} O 17 1
1 {} {0.315892344531 0.832740792734 0.489185464574} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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