iterations/neb0_image02_iter21.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 {} {0.468816494015 0.23819437733 0.474374846418} O1 1 1
14 {} {0.329272017133 0.24582327428 0.561414521136} Si1 2 1
14 {} {0.599303261311 0.330515090433 0.431814059054} Si2 3 1
8 {} {0.550089926241 0.476372267893 0.372450317564} O2 4 1
8 {} {0.332402291787 0.377497169907 0.66065225625} O3 5 1
14 {} {0.270741461087 0.517958589095 0.718566012525} Si3 6 1
14 {} {0.525442541041 0.639638704136 0.378336423334} Si4 7 1
1 {} {0.320710416825 0.122221051521 0.645217845764} H1 8 1
1 {} {0.2138211611 0.254882154204 0.466530771016} H2 9 1
1 {} {0.671734415909 0.247840171674 0.329413784999} H3 10 1
1 {} {0.687141656967 0.344636517334 0.553580007473} H4 11 1
1 {} {0.124387960029 0.495963565532 0.736397976172} H5 12 1
1 {} {0.342354359158 0.539570608591 0.849721670135} H6 13 1
1 {} {0.387116990542 0.693462889985 0.353222428831} H7 14 1
1 {} {0.604262074184 0.701822658533 0.271330962355} H8 15 1
1 {} {0.564769666829 0.685215508421 0.513304127934} H10 16 1
8 {} {0.281806553374 0.635707940041 0.609542729488} O 17 1
1 {} {0.335912895922 0.725195427052 0.60518724778} 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