./iterations/neb0_image05_iter122.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 {} {0.471379511195 0.227332383579 0.488479020591} O1 1 1
14 {} {0.330936140811 0.224289444233 0.57194059136} Si1 2 1
14 {} {0.593286914006 0.333052872114 0.449144463143} Si2 3 1
8 {} {0.534604742303 0.483692368613 0.431405916906} O2 4 1
8 {} {0.322459728938 0.358017449989 0.669495189506} O3 5 1
14 {} {0.284403052483 0.515392501046 0.678084840034} Si3 6 1
14 {} {0.508721774168 0.65131169309 0.428459669537} Si4 7 1
1 {} {0.329331280144 0.104173619162 0.660602067295} H1 8 1
1 {} {0.212804912158 0.225078161891 0.478855184825} H2 9 1
1 {} {0.649990978359 0.277785458441 0.323306942004} H3 10 1
1 {} {0.695098956993 0.328723890251 0.55740005982} H4 11 1
1 {} {0.137862927301 0.534177491709 0.688584824782} H5 12 1
1 {} {0.360046868417 0.577715478187 0.789127405364} H6 13 1
1 {} {0.414673159117 0.774779875674 0.444531099815} H7 14 1
1 {} {0.52353012925 0.674178273262 0.281288759832} H8 15 1
1 {} {0.612963867394 0.697309716582 0.526550105565} H10 16 1
8 {} {0.327710371484 0.595628567943 0.535277889782} O 17 1
1 {} {0.300280756446 0.689878674353 0.528523972838} 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