iterations/neb0_image09_iter68.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472464939065 0.212842776639 0.494637879298} O1 1 1
14 {} {0.336166576877 0.216341261788 0.586540722569} Si1 2 1
14 {} {0.603033541435 0.298838468555 0.445089748551} Si2 3 1
8 {} {0.559820203192 0.451677666781 0.402126584294} O2 4 1
8 {} {0.328979055506 0.354911373046 0.674619292924} O3 5 1
14 {} {0.296569162385 0.5162755253 0.669404320546} Si3 6 1
14 {} {0.506577495987 0.599027883975 0.4511702982} Si4 7 1
1 {} {0.340085838526 0.102500685612 0.681563023014} H1 8 1
1 {} {0.218387068286 0.209047464722 0.496052617395} H2 9 1
1 {} {0.658824055407 0.232169804284 0.324790902472} H3 10 1
1 {} {0.701831575447 0.306523859349 0.556493405934} H4 11 1
1 {} {0.150295513802 0.538255318978 0.655425971195} H5 12 1
1 {} {0.351320336597 0.576702405924 0.793760342101} H6 13 1
1 {} {0.323565297763 0.877992151893 0.413406040054} H7 14 1
1 {} {0.475908611233 0.678344646757 0.329504493588} H8 15 1
1 {} {0.610770097398 0.663660000085 0.536059967462} H10 16 1
8 {} {0.368244837221 0.585252937046 0.538392069634} O 17 1
1 {} {0.307241959959 0.852153709461 0.482020300494} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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