./iterations/neb0_image03_iter212.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 {} {0.457481438222 0.266401529364 0.490831739391} O1 1 1
14 {} {0.324185978624 0.237996964211 0.582473220666} Si1 2 1
14 {} {0.582443822826 0.351351526064 0.430098235171} Si2 3 1
8 {} {0.532247875659 0.494804972788 0.369288860341} O2 4 1
8 {} {0.30554303856 0.34991168656 0.700192502064} O3 5 1
14 {} {0.257375466812 0.503882904543 0.737271674525} Si3 6 1
14 {} {0.564162547758 0.656289653287 0.361852517433} Si4 7 1
1 {} {0.340345202805 0.10555002737 0.649528618457} H1 8 1
1 {} {0.206073606279 0.23976490928 0.49019877308} H2 9 1
1 {} {0.640887785667 0.270657661199 0.320888186688} H3 10 1
1 {} {0.682591519555 0.376204355558 0.536942909277} H4 11 1
1 {} {0.108207682358 0.511166031323 0.735985365492} H5 12 1
1 {} {0.316998979698 0.536520229442 0.868755205098} H6 13 1
1 {} {0.43660533106 0.724453778777 0.325556721623} H7 14 1
1 {} {0.664951161232 0.68289377642 0.255407807739} H8 15 1
1 {} {0.613592537831 0.708873973533 0.491790010577} H10 16 1
8 {} {0.318042137691 0.616246013322 0.628796571921} O 17 1
1 {} {0.258350090172 0.639548068138 0.555198788451} 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