./iterations/neb0_image08_iter123.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 {} {0.471250867399 0.220567631428 0.489570954801} O1 1 1
14 {} {0.331980892623 0.220750258423 0.577256013956} Si1 2 1
14 {} {0.604669179126 0.305761060265 0.445440570824} Si2 3 1
8 {} {0.565637027716 0.459439735072 0.402324247356} O2 4 1
8 {} {0.326161078465 0.350743349552 0.678378883865} O3 5 1
14 {} {0.29982369949 0.513352588352 0.67568902392} Si3 6 1
14 {} {0.507407346355 0.604086402057 0.453407113865} Si4 7 1
1 {} {0.328756748455 0.0983181246118 0.661311638485} H1 8 1
1 {} {0.216547775979 0.226833134877 0.482907327371} H2 9 1
1 {} {0.662609840469 0.23947795328 0.32605008244} H3 10 1
1 {} {0.700065892604 0.312772434121 0.559969344623} H4 11 1
1 {} {0.153895657555 0.539981897158 0.665154759157} H5 12 1
1 {} {0.357141144198 0.569374870698 0.801046100234} H6 13 1
1 {} {0.332635732359 0.857933210419 0.424001151974} H7 14 1
1 {} {0.473094643159 0.680355070887 0.330917305466} H8 15 1
1 {} {0.609162834581 0.675701599737 0.536294261214} H10 16 1
8 {} {0.371537763349 0.581054780304 0.544732958649} O 17 1
1 {} {0.297708044646 0.816013877538 0.476606196354} 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