./iterations/neb0_image07_iter186.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.472209645355 0.238113513753 0.494809298681} O1 1 1
14 {} {0.332626301902 0.220903779669 0.579316519539} Si1 2 1
14 {} {0.615450973893 0.30305771411 0.451029153185} Si2 3 1
8 {} {0.598606839978 0.463391528321 0.420089178968} O2 4 1
8 {} {0.304965283392 0.348023722444 0.680835688424} O3 5 1
14 {} {0.291160995228 0.510375503061 0.654116277196} Si3 6 1
14 {} {0.49584694656 0.590883663537 0.436874096192} Si4 7 1
1 {} {0.345398861547 0.100059579286 0.663671982548} H1 8 1
1 {} {0.22182433074 0.21202924325 0.480414147177} H2 9 1
1 {} {0.663966385305 0.235987684946 0.327480665746} H3 10 1
1 {} {0.712256887083 0.285508203103 0.562590172641} H4 11 1
1 {} {0.147492113002 0.549144278728 0.65551775559} H5 12 1
1 {} {0.368551480846 0.58310652317 0.758911013336} H6 13 1
1 {} {0.346002741374 0.905486718703 0.497545134092} H7 14 1
1 {} {0.464332439674 0.643889032227 0.302349089721} H8 15 1
1 {} {0.558992697983 0.69158685793 0.52570021978} H10 16 1
8 {} {0.353266738755 0.544144855062 0.505386770814} O 17 1
1 {} {0.317134301617 0.846825414485 0.534420655288} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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