./iterations/neb0_image07_iter45.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469618013435 0.219590642733 0.482600666155} O1 1 1
14 {} {0.332253363598 0.225582334188 0.571166440778} Si1 2 1
14 {} {0.598780976303 0.313146083357 0.442493437379} Si2 3 1
8 {} {0.548351459686 0.462393516372 0.400497691663} O2 4 1
8 {} {0.333907904483 0.355229643419 0.671603006238} O3 5 1
14 {} {0.296999766775 0.515400755483 0.680442079006} Si3 6 1
14 {} {0.501423138196 0.610739505294 0.453927025988} Si4 7 1
1 {} {0.328955441089 0.10814932353 0.659642981594} H1 8 1
1 {} {0.215430731728 0.234010561312 0.479723496106} H2 9 1
1 {} {0.663376376676 0.250179748176 0.325569087507} H3 10 1
1 {} {0.693615385054 0.329889259609 0.555561877623} H4 11 1
1 {} {0.148419328602 0.534342975981 0.680448311734} H5 12 1
1 {} {0.350571629451 0.569896083423 0.80861678009} H6 13 1
1 {} {0.344227277799 0.809032694372 0.417666795431} H7 14 1
1 {} {0.489198965714 0.683431596423 0.324902246164} H8 15 1
1 {} {0.601110795334 0.681274541881 0.542271599268} H10 16 1
8 {} {0.364517324956 0.590205679731 0.549500524844} O 17 1
1 {} {0.329328273793 0.780023015536 0.484423931631} 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