./iterations/neb0_image07_iter114.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47031731321 0.224837232518 0.491163470411} O1 1 1
14 {} {0.330739553368 0.222230038114 0.578461105851} Si1 2 1
14 {} {0.602316684649 0.311379291177 0.446846624754} Si2 3 1
8 {} {0.565473500112 0.464778578635 0.406477810166} O2 4 1
8 {} {0.323401151204 0.352787418583 0.678425532395} O3 5 1
14 {} {0.2980411243 0.515087689527 0.673465714279} Si3 6 1
14 {} {0.503775005673 0.609907189424 0.450807190416} Si4 7 1
1 {} {0.328009146117 0.0993978159758 0.662324935328} H1 8 1
1 {} {0.214959948245 0.227202013232 0.484842616692} H2 9 1
1 {} {0.657347797242 0.248720331302 0.325050095928} H3 10 1
1 {} {0.69860235954 0.316897706259 0.559710773447} H4 11 1
1 {} {0.152298070432 0.54190157118 0.664893177567} H5 12 1
1 {} {0.356820909441 0.572580958898 0.797236829494} H6 13 1
1 {} {0.349172527427 0.830413015016 0.434037002247} H7 14 1
1 {} {0.479625284878 0.679682982996 0.321937212352} H8 15 1
1 {} {0.599541119449 0.688902324078 0.533402772796} H10 16 1
8 {} {0.368768583316 0.579601740924 0.540622935987} O 17 1
1 {} {0.310876044037 0.786210025503 0.481352142668} 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