./iterations/neb0_image09_iter244.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 {} {0.472531590926 0.214963987289 0.494192932667} O1 1 1
14 {} {0.333375147498 0.215049047073 0.58170113587} Si1 2 1
14 {} {0.606541446118 0.295820972854 0.445573869103} Si2 3 1
8 {} {0.570207258599 0.451100318285 0.405238093503} O2 4 1
8 {} {0.322552077889 0.349746733185 0.675554658535} O3 5 1
14 {} {0.300544910247 0.512849586438 0.67251986023} Si3 6 1
14 {} {0.511839915538 0.597000846228 0.452384812033} Si4 7 1
1 {} {0.334140841968 0.0970639844343 0.671808744395} H1 8 1
1 {} {0.219024469972 0.210714877176 0.486244071084} H2 9 1
1 {} {0.658974043284 0.228438602808 0.32436033742} H3 10 1
1 {} {0.705848224242 0.295767682228 0.556533719901} H4 11 1
1 {} {0.15581127984 0.543633406024 0.659527273745} H5 12 1
1 {} {0.358331961035 0.567043527505 0.798228592095} H6 13 1
1 {} {0.315420650658 0.915241817012 0.43331147609} H7 14 1
1 {} {0.475090668592 0.673002754256 0.330457689694} H8 15 1
1 {} {0.61483998649 0.666804119849 0.534066387443} H10 16 1
8 {} {0.375373404829 0.57971602718 0.542637962953} O 17 1
1 {} {0.279638256237 0.858559653833 0.466716019017} 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