iterations/neb0_image05_iter174.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474293087562 0.237286137757 0.487811177476} O1 1 1
14 {} {0.329316316382 0.225763913829 0.564504719862} Si1 2 1
14 {} {0.597463566967 0.343126583834 0.463166007417} Si2 3 1
8 {} {0.542567723576 0.495500123715 0.486745083464} O2 4 1
8 {} {0.294084335154 0.361808726164 0.647613284584} O3 5 1
14 {} {0.254279372625 0.519351917638 0.663391132528} Si3 6 1
14 {} {0.555782928182 0.651402781137 0.438353500081} Si4 7 1
1 {} {0.338545779543 0.11508967971 0.663219894799} H1 8 1
1 {} {0.225472843249 0.202213042423 0.46143300399} H2 9 1
1 {} {0.645762503021 0.328808580945 0.324608822798} H3 10 1
1 {} {0.702514181617 0.313754376298 0.562775837263} H4 11 1
1 {} {0.134904919398 0.526052100151 0.750821836949} H5 12 1
1 {} {0.368342251844 0.5928283871 0.726133616667} H6 13 1
1 {} {0.457390756622 0.726729800343 0.521861700995} H7 14 1
1 {} {0.517114611985 0.66662943112 0.29317197097} H8 15 1
1 {} {0.692458587433 0.705616667657 0.459221089577} H10 16 1
8 {} {0.215803149888 0.589258134414 0.517567256649} O 17 1
1 {} {0.263989099587 0.671297550564 0.498658192334} 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