./iterations/neb0_image07_iter129.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 {} {0.469510081001 0.227589973882 0.491585804867} O1 1 1
14 {} {0.329990267159 0.22219194675 0.578139784549} Si1 2 1
14 {} {0.606056821386 0.308824239398 0.448152617654} Si2 3 1
8 {} {0.576043933949 0.465772088357 0.409204662803} O2 4 1
8 {} {0.320605863207 0.352103928904 0.679427535263} O3 5 1
14 {} {0.297022183291 0.515044406841 0.66858769084} Si3 6 1
14 {} {0.503035571574 0.607999542581 0.448300982826} Si4 7 1
1 {} {0.330551624911 0.099197674324 0.660953892231} H1 8 1
1 {} {0.214510956213 0.222587666107 0.483787233158} H2 9 1
1 {} {0.658172989636 0.240657548424 0.326235358984} H3 10 1
1 {} {0.70437108484 0.310143080821 0.561440991588} H4 11 1
1 {} {0.150972057413 0.542537886127 0.662211592677} H5 12 1
1 {} {0.360850140699 0.577330559944 0.788071029636} H6 13 1
1 {} {0.347987004995 0.842222973956 0.445290977563} H7 14 1
1 {} {0.468568624926 0.67656387634 0.321864251263} H8 15 1
1 {} {0.592663610597 0.692783633256 0.533530167155} H10 16 1
8 {} {0.363988362235 0.574983683155 0.530222286553} O 17 1
1 {} {0.315184904671 0.793983185117 0.494051068771} 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