./iterations/neb0_image09_iter273.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 {} {0.472555450606 0.211612631948 0.494875065653} O1 1 1
14 {} {0.333236026622 0.214486184509 0.581863831619} Si1 2 1
14 {} {0.606803942818 0.293937855296 0.446897275896} Si2 3 1
8 {} {0.57131273567 0.449563974434 0.409944855954} O2 4 1
8 {} {0.322475670931 0.351552521675 0.672835947867} O3 5 1
14 {} {0.30049608187 0.51406880154 0.670853875321} Si3 6 1
14 {} {0.512229670418 0.597005702403 0.452658082679} Si4 7 1
1 {} {0.334146046207 0.0989683552773 0.675243084323} H1 8 1
1 {} {0.218903383274 0.209161511918 0.486323402656} H2 9 1
1 {} {0.658446106957 0.228829884911 0.323930895083} H3 10 1
1 {} {0.707174618016 0.29088499084 0.557240302813} H4 11 1
1 {} {0.15558649022 0.545464193128 0.660307085416} H5 12 1
1 {} {0.360338189922 0.567353738673 0.796100232789} H6 13 1
1 {} {0.313321000742 0.919423306162 0.437074479809} H7 14 1
1 {} {0.477968259385 0.670507324723 0.328548619024} H8 15 1
1 {} {0.6152142316 0.668614702229 0.533032488814} H10 16 1
8 {} {0.374234151717 0.581760919565 0.54010853811} O 17 1
1 {} {0.275644138181 0.859321300504 0.463219594698} 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