iterations/neb0_image06_iter17.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469700280073 0.226610079712 0.482641436578} O1 1 1
14 {} {0.331253203673 0.23231214098 0.57478811015} Si1 2 1
14 {} {0.602330956516 0.312109629619 0.439233834521} Si2 3 1
8 {} {0.554178425516 0.46598593095 0.387005244584} O2 4 1
8 {} {0.332069431387 0.362210073861 0.669011067935} O3 5 1
14 {} {0.284837211572 0.522866520872 0.689255739706} Si3 6 1
14 {} {0.504443214621 0.618871242503 0.427368766788} Si4 7 1
1 {} {0.330970751079 0.111443161798 0.663428288427} H1 8 1
1 {} {0.214748489048 0.232896399143 0.478831177714} H2 9 1
1 {} {0.667031590456 0.237436504241 0.326632008756} H3 10 1
1 {} {0.695724942295 0.327489761407 0.555507223243} H4 11 1
1 {} {0.130345204345 0.512965090133 0.705316593427} H5 12 1
1 {} {0.34226788856 0.553989932973 0.829062036336} H6 13 1
1 {} {0.345408407044 0.793694725603 0.42230546553} H7 14 1
1 {} {0.539059069689 0.687880453555 0.292124462182} H8 15 1
1 {} {0.591138837642 0.679445942114 0.531902448404} H10 16 1
8 {} {0.342909094975 0.620690593296 0.563342859331} O 17 1
1 {} {0.331669150637 0.773619774218 0.493301234285} 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