./iterations/neb0_image02_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.461856634437 0.257250904053 0.491276988418} O1 1 1
14 {} {0.327991732691 0.239828380116 0.584044491581} Si1 2 1
14 {} {0.584500479264 0.346379496868 0.429444462639} Si2 3 1
8 {} {0.528837699142 0.488088186636 0.368617183892} O2 4 1
8 {} {0.316411822353 0.359140660798 0.695311927799} O3 5 1
14 {} {0.248317725256 0.505912312787 0.728246255506} Si3 6 1
14 {} {0.555879720421 0.650677132437 0.359782229029} Si4 7 1
1 {} {0.340417006393 0.11015734995 0.656010244778} H1 8 1
1 {} {0.208879009101 0.24104774236 0.494696937347} H2 9 1
1 {} {0.643904679616 0.267907102818 0.318822820269} H3 10 1
1 {} {0.683584146417 0.375553610572 0.536601253966} H4 11 1
1 {} {0.10183256895 0.489986958904 0.743655470716} H5 12 1
1 {} {0.314964371175 0.555136301832 0.851665716712} H6 13 1
1 {} {0.429655316979 0.71662923121 0.315265981218} H7 14 1
1 {} {0.665059308885 0.680855861554 0.262730474394} H8 15 1
1 {} {0.592262109239 0.703911338979 0.495061180959} H10 16 1
8 {} {0.265461844191 0.611702437527 0.602327152301} O 17 1
1 {} {0.340269981661 0.67235296759 0.597497320634} 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