./iterations/neb0_image04_iter190.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 {} {0.465839912876 0.253420283935 0.488768095929} O1 1 1
14 {} {0.325925682438 0.229498783086 0.57075933254} Si1 2 1
14 {} {0.5925684947 0.346736903805 0.443430123752} Si2 3 1
8 {} {0.543744947348 0.499903703061 0.416070422543} O2 4 1
8 {} {0.293156686858 0.350090672899 0.67651360285} O3 5 1
14 {} {0.253818815486 0.506597320181 0.704600520162} Si3 6 1
14 {} {0.563291426786 0.662934733145 0.399012197171} Si4 7 1
1 {} {0.34016827225 0.104916186667 0.650382051414} H1 8 1
1 {} {0.215721292368 0.21890752394 0.471450615263} H2 9 1
1 {} {0.647788112161 0.291256885614 0.316348888681} H3 10 1
1 {} {0.693026594258 0.344876302046 0.554153199932} H4 11 1
1 {} {0.11102252138 0.51710639524 0.743641758475} H5 12 1
1 {} {0.340782569766 0.556052398695 0.814080963835} H6 13 1
1 {} {0.433873010726 0.732709423608 0.420918949657} H7 14 1
1 {} {0.610123604099 0.691240724026 0.259210106554} H8 15 1
1 {} {0.663597336808 0.712117296157 0.498875500732} H10 16 1
8 {} {0.283906860603 0.588525164481 0.564612677927} O 17 1
1 {} {0.231729891533 0.665627164055 0.538229093196} 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