./iterations/neb0_image01_iter220.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.463596767982 0.256910595927 0.478087758767} O1 1 1
14 {} {0.327102614433 0.250625594074 0.569051002493} Si1 2 1
14 {} {0.596921139302 0.337241032169 0.426398135766} Si2 3 1
8 {} {0.555999309037 0.477187245644 0.35078749478} O2 4 1
8 {} {0.323419925933 0.373425612994 0.677161346051} O3 5 1
14 {} {0.254755544138 0.512859410531 0.733276182674} Si3 6 1
14 {} {0.539170632112 0.640616191858 0.360568700466} Si4 7 1
1 {} {0.329166038516 0.122288541828 0.644306003644} H1 8 1
1 {} {0.20981519651 0.259503695659 0.477422109101} H2 9 1
1 {} {0.665440675053 0.250347701142 0.327431505585} H3 10 1
1 {} {0.683730523639 0.368963326863 0.543487422893} H4 11 1
1 {} {0.108274657739 0.49411014295 0.750024441669} H5 12 1
1 {} {0.324010409675 0.542598649371 0.861705202569} H6 13 1
1 {} {0.403590078085 0.678844964688 0.312799874042} H7 14 1
1 {} {0.643696511749 0.707180846269 0.277614558798} H8 15 1
1 {} {0.554548469659 0.685468985368 0.503133074788} H10 16 1
8 {} {0.269499880871 0.637730962093 0.626216544554} O 17 1
1 {} {0.357347539344 0.676614298137 0.611586522479} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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