iterations/neb0_image08_iter125.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 {} {0.471008733983 0.220665978495 0.489823561497} O1 1 1
14 {} {0.331860011304 0.220620004419 0.577077981304} Si1 2 1
14 {} {0.604930385919 0.305403976154 0.445642350281} Si2 3 1
8 {} {0.566936059072 0.459436356148 0.402453254453} O2 4 1
8 {} {0.325761245533 0.350502866708 0.678610117836} O3 5 1
14 {} {0.299834616083 0.513224320314 0.675810837345} Si3 6 1
14 {} {0.507816349022 0.604029400615 0.453409347401} Si4 7 1
1 {} {0.328767279828 0.0982938374891 0.661016653013} H1 8 1
1 {} {0.216428435056 0.226521794413 0.482864070986} H2 9 1
1 {} {0.662516532934 0.23842008459 0.326254460412} H3 10 1
1 {} {0.700728592048 0.312152261152 0.560109454987} H4 11 1
1 {} {0.154039888457 0.540446127759 0.664828214778} H5 12 1
1 {} {0.357414869481 0.569262344704 0.8010088353} H6 13 1
1 {} {0.332329783975 0.859946845809 0.425702524029} H7 14 1
1 {} {0.472893540584 0.679679181728 0.330680124945} H8 15 1
1 {} {0.608982000704 0.676468637458 0.536050634608} H10 16 1
8 {} {0.372046228906 0.581046019716 0.54435701521} O 17 1
1 {} {0.295791620738 0.816397937772 0.475358492229} 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