./iterations/neb0_image01_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.4621590125 0.25985965406 0.479960817689} O1 1 1
14 {} {0.327297713664 0.248905959814 0.572345585682} Si1 2 1
14 {} {0.595085775272 0.339128425385 0.426386304096} Si2 3 1
8 {} {0.554249528398 0.478219712974 0.34960346231} O2 4 1
8 {} {0.321714095303 0.368566770619 0.684604781971} O3 5 1
14 {} {0.254036031035 0.511123058356 0.732548759014} Si3 6 1
14 {} {0.540511328339 0.642052757671 0.358614607774} Si4 7 1
1 {} {0.332570999009 0.11891017005 0.64387632633} H1 8 1
1 {} {0.208134423988 0.257540120485 0.483589791638} H2 9 1
1 {} {0.661917324346 0.251495573328 0.327025957012} H3 10 1
1 {} {0.682872394946 0.372044942424 0.54241753674} H4 11 1
1 {} {0.10724005994 0.494062577935 0.745733929623} H5 12 1
1 {} {0.320449884849 0.547541194487 0.860794273397} H6 13 1
1 {} {0.408037483164 0.682513533372 0.304234979323} H7 14 1
1 {} {0.6506943366 0.705446340295 0.281094733927} H8 15 1
1 {} {0.551817481711 0.687743180132 0.501148378901} H10 16 1
8 {} {0.272656849908 0.631165002817 0.620547597636} O 17 1
1 {} {0.358641181444 0.676198705447 0.616530073637} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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