iterations/neb0_image02_iter211.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.460379599662 0.259939002605 0.491121239455} O1 1 1
14 {} {0.327456984461 0.238887449991 0.58485515517} Si1 2 1
14 {} {0.583489396669 0.346816554993 0.429315077225} Si2 3 1
8 {} {0.529305061552 0.489956960931 0.36753276466} O2 4 1
8 {} {0.314212822567 0.358143626729 0.698255899279} O3 5 1
14 {} {0.246812951729 0.504666483182 0.729428283548} Si3 6 1
14 {} {0.557564687448 0.651365520774 0.358274642272} Si4 7 1
1 {} {0.342252956749 0.109403278778 0.656226074879} H1 8 1
1 {} {0.20803328587 0.240860103997 0.496033147567} H2 9 1
1 {} {0.642792201433 0.268799021869 0.318308830694} H3 10 1
1 {} {0.683250780645 0.377352215205 0.535458688506} H4 11 1
1 {} {0.0999754023568 0.488700274104 0.745225006887} H5 12 1
1 {} {0.313154327452 0.554590212061 0.8527329347} H6 13 1
1 {} {0.433335456201 0.718150750658 0.313257858086} H7 14 1
1 {} {0.669078933274 0.680793294308 0.262183316665} H8 15 1
1 {} {0.595044915152 0.705944280393 0.49352821539} H10 16 1
8 {} {0.263575851195 0.610059270529 0.603098545687} O 17 1
1 {} {0.340370587851 0.668089728331 0.596222356307} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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