iterations/neb0_image08_iter15.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470721707449 0.21994474521 0.490864287941} O1 1 1
14 {} {0.33446105631 0.221689211049 0.582154901429} Si1 2 1
14 {} {0.603640009375 0.303738630816 0.442106407165} Si2 3 1
8 {} {0.559237792971 0.45585818944 0.394395046463} O2 4 1
8 {} {0.328831446264 0.357439986711 0.674284413624} O3 5 1
14 {} {0.292484059936 0.519394604983 0.675476347208} Si3 6 1
14 {} {0.499716959348 0.602804541418 0.446572630792} Si4 7 1
1 {} {0.338407112287 0.107850860454 0.677074313745} H1 8 1
1 {} {0.216721736739 0.216808944244 0.490421837248} H2 9 1
1 {} {0.66176780675 0.230471495849 0.326297185249} H3 10 1
1 {} {0.70059605676 0.314114628069 0.555410221687} H4 11 1
1 {} {0.13939570837 0.525150226918 0.678434971924} H5 12 1
1 {} {0.344759525389 0.565409151984 0.810975450771} H6 13 1
1 {} {0.328973511609 0.849120664911 0.415223778608} H7 14 1
1 {} {0.507889493859 0.680015915465 0.311692442405} H8 15 1
1 {} {0.602422429525 0.670539331926 0.531150118067} H10 16 1
8 {} {0.364646419348 0.596687025191 0.54222704169} O 17 1
1 {} {0.315413315156 0.835479808676 0.486296607622} 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