./iterations/neb0_image05_iter111.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 {} {0.470704947457 0.22730595973 0.490340086235} O1 1 1
14 {} {0.330902924089 0.22369151618 0.573454956768} Si1 2 1
14 {} {0.591811564006 0.332658070991 0.448607566592} Si2 3 1
8 {} {0.53198494863 0.481992728621 0.425149773391} O2 4 1
8 {} {0.324414618111 0.356898854958 0.672172445411} O3 5 1
14 {} {0.286732185345 0.514606258447 0.678562038973} Si3 6 1
14 {} {0.50685594742 0.650458754533 0.42846082036} Si4 7 1
1 {} {0.328217946131 0.102804635261 0.659237686909} H1 8 1
1 {} {0.213700160333 0.227528790096 0.481989598011} H2 9 1
1 {} {0.648940498735 0.278631193455 0.322274177537} H3 10 1
1 {} {0.693947569576 0.32880432051 0.559193162838} H4 11 1
1 {} {0.139927157864 0.536891831351 0.680924578822} H5 12 1
1 {} {0.359177109438 0.576300301199 0.792246815007} H6 13 1
1 {} {0.410786314855 0.776257131584 0.439133102324} H7 14 1
1 {} {0.524970475039 0.675349797776 0.281963682785} H8 15 1
1 {} {0.606390976093 0.698191061121 0.529072179394} H10 16 1
8 {} {0.335317483617 0.595160135455 0.537031028706} O 17 1
1 {} {0.305303252479 0.68898657924 0.531244302364} 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