iterations/neb0_image04_iter276.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 {} {0.468161376563 0.261234712047 0.491556590475} O1 1 1
14 {} {0.326265537457 0.230284804033 0.566921823632} Si1 2 1
14 {} {0.600182716807 0.34769181892 0.449468985746} Si2 3 1
8 {} {0.564032462654 0.506246210884 0.432963021371} O2 4 1
8 {} {0.279542614132 0.351093831814 0.666661530409} O3 5 1
14 {} {0.234554958699 0.503987146811 0.698835031998} Si3 6 1
14 {} {0.588643307843 0.665438706308 0.403564957827} Si4 7 1
1 {} {0.344130122548 0.109347734024 0.650243732016} H1 8 1
1 {} {0.223516112516 0.213364596162 0.462477965258} H2 9 1
1 {} {0.649936526497 0.296248130428 0.318735247083} H3 10 1
1 {} {0.70242843699 0.332121359642 0.556491245761} H4 11 1
1 {} {0.107235351045 0.501750012557 0.777704252673} H5 12 1
1 {} {0.34186819379 0.572280057134 0.776613760256} H6 13 1
1 {} {0.468015037165 0.741642778178 0.447110756185} H7 14 1
1 {} {0.608424980391 0.684419917866 0.257341801071} H8 15 1
1 {} {0.708224482 0.7129660652 0.478676393004} H10 16 1
8 {} {0.216095513824 0.576576549156 0.552081519904} O 17 1
1 {} {0.178828198365 0.665823318244 0.543609708034} 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