./iterations/neb0_image03_iter41.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468546311721 0.232895582093 0.480198665225} O1 1 1
14 {} {0.331716482572 0.23990455264 0.567846341414} Si1 2 1
14 {} {0.59191535939 0.330653095115 0.434930617798} Si2 3 1
8 {} {0.53130485252 0.474092241437 0.38656827601} O2 4 1
8 {} {0.333197092048 0.37544838493 0.659667013473} O3 5 1
14 {} {0.27436300286 0.519854096082 0.705812244436} Si3 6 1
14 {} {0.526618429327 0.641001041551 0.389001012078} Si4 7 1
1 {} {0.327846241567 0.121641202229 0.656696058224} H1 8 1
1 {} {0.214856026156 0.240647766866 0.476832795769} H2 9 1
1 {} {0.660621397043 0.259374765896 0.326344931468} H3 10 1
1 {} {0.68569976368 0.34435699914 0.548088028689} H4 11 1
1 {} {0.125486174809 0.51415774933 0.719381699983} H5 12 1
1 {} {0.339964633992 0.558178214516 0.834835160557} H6 13 1
1 {} {0.389059589389 0.6962322909 0.37984828642} H7 14 1
1 {} {0.598721868954 0.69510594546 0.268065972894} H8 15 1
1 {} {0.582494839195 0.687698786263 0.522359969307} H10 16 1
8 {} {0.313790831463 0.62205677984 0.583850880123} O 17 1
1 {} {0.313883220501 0.719218473325 0.590730030096} 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