./iterations/neb0_image09_iter47.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 {} {0.472000735064 0.21196115616 0.49425063098} O1 1 1
14 {} {0.336172430951 0.216072982778 0.586139216007} Si1 2 1
14 {} {0.602738462655 0.298875547483 0.445053948298} Si2 3 1
8 {} {0.559867865387 0.451332284978 0.402026009485} O2 4 1
8 {} {0.329649468669 0.355326785392 0.67462902918} O3 5 1
14 {} {0.296401844482 0.516365231193 0.669081443021} Si3 6 1
14 {} {0.507189112584 0.599171527667 0.451069914769} Si4 7 1
1 {} {0.341053910559 0.103496043399 0.682635300052} H1 8 1
1 {} {0.217648625147 0.208737900617 0.496126876376} H2 9 1
1 {} {0.658432956349 0.231263275474 0.325335763731} H3 10 1
1 {} {0.702445783686 0.308070220388 0.555551464756} H4 11 1
1 {} {0.149417887675 0.537962201741 0.656871490156} H5 12 1
1 {} {0.349966537946 0.576508790488 0.794425050524} H6 13 1
1 {} {0.323677223287 0.877933373572 0.412445575378} H7 14 1
1 {} {0.478603692658 0.676551462207 0.327870908735} H8 15 1
1 {} {0.610168798078 0.664567081839 0.536368938214} H10 16 1
8 {} {0.367309960362 0.585899118033 0.538587980723} O 17 1
1 {} {0.307340867348 0.8524229621 0.482588455894} 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