./iterations/neb0_image09_iter190.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472227121244 0.216317061111 0.493918383792} O1 1 1
14 {} {0.333333183411 0.215492770602 0.582147508919} Si1 2 1
14 {} {0.605581753521 0.297825769303 0.444560623457} Si2 3 1
8 {} {0.568373336871 0.452289598005 0.40168617377} O2 4 1
8 {} {0.323134037661 0.349094267853 0.677409323882} O3 5 1
14 {} {0.299350336208 0.512083538786 0.672946923485} Si3 6 1
14 {} {0.510851589256 0.597318120524 0.452431210264} Si4 7 1
1 {} {0.335466518724 0.0970884716841 0.671489579941} H1 8 1
1 {} {0.218203962087 0.212672161151 0.487539808441} H2 9 1
1 {} {0.65949112204 0.229252937535 0.324565330603} H3 10 1
1 {} {0.704560448766 0.301905384292 0.555877959714} H4 11 1
1 {} {0.154139557796 0.541122710889 0.659546377787} H5 12 1
1 {} {0.355885172258 0.568261297461 0.79838979955} H6 13 1
1 {} {0.318659038013 0.906485654533 0.426608273333} H7 14 1
1 {} {0.474245317268 0.675302942657 0.33174656063} H8 15 1
1 {} {0.614984816354 0.666046657715 0.534044405796} H10 16 1
8 {} {0.374967558705 0.577883555606 0.543056563813} O 17 1
1 {} {0.286631234187 0.856075031544 0.473092884575} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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