iterations/neb0_image02_iter62.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 {} {0.468320541288 0.236277758205 0.475489597026} O1 1 1
14 {} {0.329610136382 0.244201255764 0.563379697304} Si1 2 1
14 {} {0.595828086805 0.330618251211 0.431855979246} Si2 3 1
8 {} {0.543865988068 0.474723688883 0.374291488204} O2 4 1
8 {} {0.33221211016 0.376150106525 0.661313443677} O3 5 1
14 {} {0.266862618568 0.517001692276 0.715134541948} Si3 6 1
14 {} {0.52854291457 0.638218674838 0.380263431285} Si4 7 1
1 {} {0.323006597155 0.122682164785 0.649142163555} H1 8 1
1 {} {0.212978305719 0.252252579319 0.47067585822} H2 9 1
1 {} {0.666450424128 0.260139355084 0.322091418171} H3 10 1
1 {} {0.682872342427 0.354520898855 0.550448808673} H4 11 1
1 {} {0.121288557551 0.497245938727 0.737241538551} H5 12 1
1 {} {0.340484181277 0.555512278779 0.838725019686} H6 13 1
1 {} {0.387032799439 0.677004864568 0.357538752816} H7 14 1
1 {} {0.614684290012 0.698194855565 0.274455321172} H8 15 1
1 {} {0.576245358674 0.691012867684 0.512626467668} H10 16 1
8 {} {0.28129169795 0.635872790749 0.600346388243} O 17 1
1 {} {0.338509179485 0.710887939365 0.616038070576} 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