iterations/neb0_image02_iter296.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.453623511016 0.268354908469 0.481545352793} O1 1 1
14 {} {0.325108667856 0.241818061569 0.579868799178} Si1 2 1
14 {} {0.585067768806 0.347672611531 0.427777571651} Si2 3 1
8 {} {0.541899732582 0.493451266242 0.36545057895} O2 4 1
8 {} {0.310508229847 0.360179209064 0.693453431916} O3 5 1
14 {} {0.240917882351 0.502262283869 0.733586480311} Si3 6 1
14 {} {0.56516125251 0.65576899798 0.357428949352} Si4 7 1
1 {} {0.347153585893 0.11397740358 0.650235307632} H1 8 1
1 {} {0.203459588701 0.238386670918 0.495331931397} H2 9 1
1 {} {0.645461522238 0.26670650003 0.319180981789} H3 10 1
1 {} {0.680946382289 0.369977250603 0.539734775828} H4 11 1
1 {} {0.0957461243045 0.483193441539 0.756470091416} H5 12 1
1 {} {0.310924392051 0.550949487961 0.8556432235} H6 13 1
1 {} {0.436065577564 0.719958703721 0.318231687103} H7 14 1
1 {} {0.670725433437 0.689666609717 0.257622415618} H8 15 1
1 {} {0.604970775037 0.707343393456 0.492918934547} H10 16 1
8 {} {0.252041505638 0.613239491859 0.611676847816} O 17 1
1 {} {0.340304594603 0.649612016914 0.594900203536} 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