./iterations/neb0_image08_iter97.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image08

@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 {} {0.47142547086 0.21895547081 0.489749403907} O1 1 1
14 {} {0.332721049386 0.220893512544 0.577864993702} Si1 2 1
14 {} {0.60303990401 0.307072262511 0.444685342921} Si2 3 1
8 {} {0.561121813058 0.45967560529 0.400365947307} O2 4 1
8 {} {0.328635476579 0.351769404986 0.678279997078} O3 5 1
14 {} {0.298728339453 0.513603203559 0.675852661381} Si3 6 1
14 {} {0.504776639009 0.604573710658 0.453453374798} Si4 7 1
1 {} {0.329640205611 0.0993701320879 0.662959610758} H1 8 1
1 {} {0.217543482515 0.226855702907 0.483239796804} H2 9 1
1 {} {0.663361765635 0.243905794036 0.32503405657} H3 10 1
1 {} {0.697622349159 0.313980033171 0.559745460055} H4 11 1
1 {} {0.152260329009 0.538231039327 0.665888009393} H5 12 1
1 {} {0.356405636009 0.570459566627 0.800590562877} H6 13 1
1 {} {0.332731968577 0.847742745588 0.418505648228} H7 14 1
1 {} {0.473595600846 0.683434444933 0.331892262426} H8 15 1
1 {} {0.608805338813 0.671437521568 0.537147863614} H10 16 1
8 {} {0.369024966201 0.584199675311 0.544407510501} O 17 1
1 {} {0.308645802851 0.816358156397 0.481395450736} 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