iterations/neb0_image06_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_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 {} {0.468890685434 0.219600025285 0.483631979133} O1 1 1
14 {} {0.331181143282 0.227209794638 0.573951828777} Si1 2 1
14 {} {0.59423025169 0.319428612358 0.443200099891} Si2 3 1
8 {} {0.539153580274 0.468033327758 0.406238699346} O2 4 1
8 {} {0.330510137511 0.358257075205 0.674195005174} O3 5 1
14 {} {0.295125362937 0.518089491066 0.68271042878} Si3 6 1
14 {} {0.497974945151 0.620140763086 0.451308763541} Si4 7 1
1 {} {0.329086698431 0.108593915163 0.663376797584} H1 8 1
1 {} {0.213958376215 0.232434962415 0.48035924318} H2 9 1
1 {} {0.657487570595 0.264256784843 0.320688821541} H3 10 1
1 {} {0.690821950169 0.335276442527 0.556267159335} H4 11 1
1 {} {0.147390901684 0.53877226094 0.677811568885} H5 12 1
1 {} {0.348850936137 0.571086346703 0.810728154303} H6 13 1
1 {} {0.368768870313 0.783837689205 0.425334671865} H7 14 1
1 {} {0.503618266372 0.682539319895 0.315236153664} H8 15 1
1 {} {0.599493661938 0.690669038167 0.535559474359} H10 16 1
8 {} {0.365364574899 0.591251294064 0.554369523759} O 17 1
1 {} {0.328178201773 0.743040807819 0.476089610277} 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