./iterations/neb0_image05_iter31.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469438581262 0.225853066001 0.483498239567} O1 1 1
14 {} {0.332582869018 0.23463252404 0.573830714464} Si1 2 1
14 {} {0.594883537964 0.3233447185 0.438488739759} Si2 3 1
8 {} {0.537143154627 0.475381147493 0.399685547561} O2 4 1
8 {} {0.332511088613 0.376167524668 0.660181898083} O3 5 1
14 {} {0.283091213879 0.527821086463 0.689493843402} Si3 6 1
14 {} {0.505210792795 0.640725918672 0.421220727581} Si4 7 1
1 {} {0.330805496869 0.114122983525 0.662773006754} H1 8 1
1 {} {0.215976155623 0.232390192744 0.481333275242} H2 9 1
1 {} {0.663582276148 0.245338320096 0.328035295722} H3 10 1
1 {} {0.69304695379 0.329629360032 0.552350100637} H4 11 1
1 {} {0.13724643804 0.521526467698 0.701322499884} H5 12 1
1 {} {0.339335016488 0.559637991277 0.820620886959} H6 13 1
1 {} {0.369266408044 0.771758637549 0.424423685888} H7 14 1
1 {} {0.542223653917 0.684466495465 0.284097051381} H8 15 1
1 {} {0.591632316478 0.680197025154 0.533663175751} H10 16 1
8 {} {0.341650528525 0.621974391127 0.571707606442} O 17 1
1 {} {0.330459649917 0.707550106938 0.504331687904} 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