./iterations/neb0_image02_iter130.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 {} {0.467593510562 0.241769559791 0.482502087361} O1 1 1
14 {} {0.329491527422 0.241796901375 0.571188119712} Si1 2 1
14 {} {0.592230786825 0.335498529539 0.431076047718} Si2 3 1
8 {} {0.536223047183 0.478442085674 0.373803117136} O2 4 1
8 {} {0.326762006078 0.370820210844 0.67258588217} O3 5 1
14 {} {0.260512804967 0.513967173093 0.718564889787} Si3 6 1
14 {} {0.537699866106 0.643050742799 0.37301940805} Si4 7 1
1 {} {0.328596050286 0.118156461904 0.653342450835} H1 8 1
1 {} {0.212054086687 0.247020290195 0.479937602298} H2 9 1
1 {} {0.658950480927 0.261680842087 0.320527932762} H3 10 1
1 {} {0.683915056143 0.361700345917 0.54579926159} H4 11 1
1 {} {0.114672111164 0.494937368184 0.739185510839} H5 12 1
1 {} {0.3317066243 0.556138764266 0.84262568158} H6 13 1
1 {} {0.400791169416 0.693505517757 0.34322367189} H7 14 1
1 {} {0.632971575154 0.691039736108 0.26871568938} H8 15 1
1 {} {0.581584172501 0.69527021811 0.506676309987} H10 16 1
8 {} {0.274266900872 0.628533683853 0.600101466246} O 17 1
1 {} {0.340064330597 0.699189548103 0.608182910813} 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