./iterations/neb0_image04_iter208.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 {} {0.465320788232 0.25554556689 0.488009522907} O1 1 1
14 {} {0.325550487462 0.229291649739 0.57004482104} Si1 2 1
14 {} {0.593164129795 0.348308972963 0.444575018441} Si2 3 1
8 {} {0.547816598987 0.502459889435 0.419087124622} O2 4 1
8 {} {0.291275030643 0.34921085817 0.676434349065} O3 5 1
14 {} {0.24990694287 0.505914098059 0.704425557085} Si3 6 1
14 {} {0.568592027543 0.664142885504 0.39955422713} Si4 7 1
1 {} {0.341592881517 0.10412515544 0.649139192994} H1 8 1
1 {} {0.21644973605 0.217240456462 0.46942908162} H2 9 1
1 {} {0.647646749206 0.290933760413 0.318548151541} H3 10 1
1 {} {0.695699923763 0.344771294368 0.553078061628} H4 11 1
1 {} {0.10676490198 0.51603271376 0.748358624501} H5 12 1
1 {} {0.342925092326 0.557056038703 0.809080802982} H6 13 1
1 {} {0.439362618759 0.732261588187 0.424094665621} H7 14 1
1 {} {0.611653734082 0.691340821146 0.25997176197} H8 15 1
1 {} {0.67340915141 0.713202243351 0.49398901575} H10 16 1
8 {} {0.272547070615 0.585794087732 0.561025779152} O 17 1
1 {} {0.220408149013 0.664885782654 0.542212382817} 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