iterations/neb0_image08_iter234.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472458969506 0.224662277313 0.493262765318} O1 1 1
14 {} {0.331223595564 0.218942275157 0.576942202939} Si1 2 1
14 {} {0.613714619949 0.297171309344 0.451739561128} Si2 3 1
8 {} {0.591679306554 0.45649466851 0.419586449322} O2 4 1
8 {} {0.313606901521 0.349527274468 0.675410606331} O3 5 1
14 {} {0.300703700368 0.513433833061 0.667729745256} Si3 6 1
14 {} {0.511653366364 0.596465475692 0.447129040165} Si4 7 1
1 {} {0.331867310427 0.0975633611728 0.662078349214} H1 8 1
1 {} {0.219848694271 0.214465674566 0.478231710596} H2 9 1
1 {} {0.662994528241 0.230405448433 0.328812420921} H3 10 1
1 {} {0.710264369222 0.283163113716 0.564311577397} H4 11 1
1 {} {0.157637150627 0.552722731625 0.65910489825} H5 12 1
1 {} {0.365809546199 0.568207301078 0.789804659354} H6 13 1
1 {} {0.311406462388 0.910910613953 0.47356619548} H7 14 1
1 {} {0.472449237456 0.653132803615 0.317226342608} H8 15 1
1 {} {0.59848768998 0.686328395744 0.526484362483} H10 16 1
8 {} {0.373332398898 0.571127425903 0.532474019963} O 17 1
1 {} {0.270948408572 0.847793896099 0.467162808935} 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