iterations/neb0_image08_iter169.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 {} {0.47095404481 0.228522214188 0.492796904098} O1 1 1
14 {} {0.33031682554 0.220590513308 0.576641579066} Si1 2 1
14 {} {0.611982062428 0.300602711543 0.449996684913} Si2 3 1
8 {} {0.587564830896 0.458408450726 0.410754631354} O2 4 1
8 {} {0.314738114415 0.347893236879 0.680568475553} O3 5 1
14 {} {0.300802304472 0.512000713229 0.673031191363} Si3 6 1
14 {} {0.512018544378 0.599214825341 0.449978728148} Si4 7 1
1 {} {0.330059626326 0.0965948400581 0.65858181176} H1 8 1
1 {} {0.218255592942 0.222563530097 0.478226869239} H2 9 1
1 {} {0.662958836376 0.230884715605 0.329340945459} H3 10 1
1 {} {0.708039562218 0.291142752268 0.56403164255} H4 11 1
1 {} {0.15721614077 0.548803356278 0.660881005747} H5 12 1
1 {} {0.363695259672 0.568063337382 0.795753791761} H6 13 1
1 {} {0.317225593576 0.893728524583 0.465233378938} H7 14 1
1 {} {0.467693415502 0.667196966452 0.325489496992} H8 15 1
1 {} {0.606800086665 0.683418340149 0.52832216452} H10 16 1
8 {} {0.376846395756 0.569366807346 0.539099908062} O 17 1
1 {} {0.272919019479 0.833522038838 0.452328583178} 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