./iterations/neb0_image02_iter222.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 {} {0.459800031695 0.261115098037 0.491279066346} O1 1 1
14 {} {0.327123065396 0.239215788271 0.585323093018} Si1 2 1
14 {} {0.583444973984 0.347803850748 0.428852695389} Si2 3 1
8 {} {0.529632580883 0.49039248013 0.367141660723} O2 4 1
8 {} {0.313898984158 0.357058111641 0.699108873386} O3 5 1
14 {} {0.246033652129 0.504086719223 0.730280639866} Si3 6 1
14 {} {0.558787046336 0.65215891552 0.357727284688} Si4 7 1
1 {} {0.342924749402 0.109162098747 0.655976661576} H1 8 1
1 {} {0.207455382377 0.240788448274 0.496446675555} H2 9 1
1 {} {0.642358396296 0.268564056162 0.318122441754} H3 10 1
1 {} {0.683234137227 0.37788141958 0.535414397469} H4 11 1
1 {} {0.0992193935473 0.488459698248 0.745727732727} H5 12 1
1 {} {0.31248735492 0.553904774815 0.853671298769} H6 13 1
1 {} {0.434510398051 0.719228651542 0.311809559858} H7 14 1
1 {} {0.670277199832 0.680527756549 0.262202907335} H8 15 1
1 {} {0.595719819431 0.706341470683 0.492732098219} H10 16 1
8 {} {0.262842252578 0.609091947343 0.603796990793} O 17 1
1 {} {0.340336798612 0.666736755465 0.595443948525} 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