./iterations/neb0_image02_iter139.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 {} {0.466769386349 0.243740731405 0.484693452528} O1 1 1
14 {} {0.32912171691 0.241172423279 0.574102940472} Si1 2 1
14 {} {0.590300425157 0.337459977971 0.430512770217} Si2 3 1
8 {} {0.533287775487 0.480201055203 0.373029900234} O2 4 1
8 {} {0.324943163004 0.368523491866 0.677851201289} O3 5 1
14 {} {0.257537682828 0.512969937524 0.720023138499} Si3 6 1
14 {} {0.541366467031 0.644669878835 0.370551597762} Si4 7 1
1 {} {0.330966917882 0.115932854091 0.65477104115} H1 8 1
1 {} {0.211318496196 0.245800152399 0.482861533499} H2 9 1
1 {} {0.656493579087 0.263383098895 0.319628297247} H3 10 1
1 {} {0.683811599811 0.365434247731 0.543314333995} H4 11 1
1 {} {0.111145921425 0.493642147344 0.74038571037} H5 12 1
1 {} {0.328418056193 0.556586139517 0.843454947517} H6 13 1
1 {} {0.406587488218 0.697028710682 0.337757225109} H7 14 1
1 {} {0.640597308361 0.688345605179 0.267603674512} H8 15 1
1 {} {0.583968750375 0.697896743048 0.504092932927} H10 16 1
8 {} {0.272798909738 0.625434906756 0.600576871091} O 17 1
1 {} {0.34065245472 0.694295867194 0.605846504426} 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