./iterations/neb0_image05_iter114.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 {} {0.471554959229 0.22778449778 0.489716728357} O1 1 1
14 {} {0.330493244053 0.22385362698 0.572845975712} Si1 2 1
14 {} {0.592897985221 0.332510023396 0.449257946503} Si2 3 1
8 {} {0.532981104023 0.483125984962 0.427995024288} O2 4 1
8 {} {0.323379070878 0.357486325982 0.671282739439} O3 5 1
14 {} {0.285995972281 0.515534785519 0.677110730795} Si3 6 1
14 {} {0.507600669597 0.650975093253 0.428127742926} Si4 7 1
1 {} {0.328808597603 0.102958083803 0.659523419773} H1 8 1
1 {} {0.212856478231 0.226130863628 0.480567982645} H2 9 1
1 {} {0.648959794735 0.278038439407 0.323146743055} H3 10 1
1 {} {0.695121253821 0.328016738431 0.558741156238} H4 11 1
1 {} {0.139011362418 0.535292601956 0.684427742929} H5 12 1
1 {} {0.359818988064 0.576921291524 0.790045020377} H6 13 1
1 {} {0.413287032133 0.776444864799 0.441695169284} H7 14 1
1 {} {0.523685565022 0.675136423036 0.280716374253} H8 15 1
1 {} {0.6098455555 0.698198763168 0.528714505509} H10 16 1
8 {} {0.332135428581 0.594782734919 0.535688880434} O 17 1
1 {} {0.301653011921 0.689326774704 0.531454120014} 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