iterations/neb0_image08_iter5.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471761559113 0.219928161824 0.492270702107} O1 1 1
14 {} {0.33461174204 0.221881853934 0.584256516376} Si1 2 1
14 {} {0.603783950941 0.299880488423 0.443537964137} Si2 3 1
8 {} {0.56358610241 0.454419926145 0.392307784455} O2 4 1
8 {} {0.328298804413 0.354354849823 0.672974425423} O3 5 1
14 {} {0.287423157542 0.517147588374 0.682496048054} Si3 6 1
14 {} {0.505618650984 0.599031967488 0.443128691115} Si4 7 1
1 {} {0.339658850882 0.108807259844 0.679211099435} H1 8 1
1 {} {0.217689762689 0.21415578846 0.493151012682} H2 9 1
1 {} {0.660654987514 0.229209340396 0.326573362152} H3 10 1
1 {} {0.701151689469 0.311788214253 0.555019324842} H4 11 1
1 {} {0.139555236801 0.524934062809 0.675084514119} H5 12 1
1 {} {0.345287986511 0.565948717952 0.809091843654} H6 13 1
1 {} {0.32809234198 0.860319597585 0.41093619209} H7 14 1
1 {} {0.510963491018 0.682016703237 0.307953544201} H8 15 1
1 {} {0.601759197758 0.668848053624 0.528400658979} H10 16 1
8 {} {0.358571995916 0.59994024605 0.546057744893} O 17 1
1 {} {0.311616636628 0.839905139131 0.488606568062} 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