./iterations/neb0_image09_iter79.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472467389044 0.213387673566 0.494858698869} O1 1 1
14 {} {0.335982780903 0.216465394219 0.586492453487} Si1 2 1
14 {} {0.603128552556 0.299328484385 0.444966412881} Si2 3 1
8 {} {0.559720788356 0.451850551356 0.401649060963} O2 4 1
8 {} {0.328515091698 0.354747715711 0.675473793713} O3 5 1
14 {} {0.296776861285 0.51611025161 0.669331047771} Si3 6 1
14 {} {0.506942818689 0.599345364803 0.45089976408} Si4 7 1
1 {} {0.339786583757 0.102066509616 0.681074789398} H1 8 1
1 {} {0.21837403926 0.209272231266 0.495377812942} H2 9 1
1 {} {0.659054266972 0.23249363985 0.324939415659} H3 10 1
1 {} {0.701709685675 0.305746424963 0.556634717249} H4 11 1
1 {} {0.150434286159 0.538081283343 0.65584692116} H5 12 1
1 {} {0.351306108406 0.576085898379 0.793971826123} H6 13 1
1 {} {0.323580198113 0.878583748166 0.413371654614} H7 14 1
1 {} {0.475588238262 0.678709636032 0.329856922845} H8 15 1
1 {} {0.61140947445 0.663633087114 0.535784618094} H10 16 1
8 {} {0.368482999332 0.584744405059 0.538179369027} O 17 1
1 {} {0.306826003316 0.851865636771 0.482348695163} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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