iterations/neb0_image05_iter58.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469036256615 0.222383385948 0.481748414327} O1 1 1
14 {} {0.332209161845 0.230147535917 0.571536052928} Si1 2 1
14 {} {0.590441674351 0.329054844135 0.44210228042} Si2 3 1
8 {} {0.525953216308 0.475591939019 0.411253144133} O2 4 1
8 {} {0.332328162485 0.363689371709 0.668491882377} O3 5 1
14 {} {0.286805491151 0.518928547153 0.688847077439} Si3 6 1
14 {} {0.503777181224 0.640826014215 0.43122547875} Si4 7 1
1 {} {0.330062525577 0.113983442635 0.66522342029} H1 8 1
1 {} {0.212316712773 0.232748710514 0.480021712532} H2 9 1
1 {} {0.654558093793 0.268507739324 0.322305931283} H3 10 1
1 {} {0.689482109014 0.339675927028 0.553815411705} H4 11 1
1 {} {0.139880178522 0.535493917885 0.687516721219} H5 12 1
1 {} {0.344322137139 0.569035420315 0.815684892869} H6 13 1
1 {} {0.393425776581 0.761268101272 0.422102026814} H7 14 1
1 {} {0.53069351003 0.681594831181 0.292719294541} H8 15 1
1 {} {0.597621841283 0.694062135326 0.532691046993} H10 16 1
8 {} {0.348335338643 0.602164867418 0.556460700476} O 17 1
1 {} {0.328836745224 0.693361223313 0.507312488306} 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