./iterations/neb0_image09_iter236.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472214519966 0.215103340999 0.494016298174} O1 1 1
14 {} {0.333453426256 0.215001795855 0.581702847761} Si1 2 1
14 {} {0.606416517646 0.296480845912 0.445250344891} Si2 3 1
8 {} {0.57005742448 0.451296011997 0.404271289841} O2 4 1
8 {} {0.322511807205 0.349666524038 0.67604436254} O3 5 1
14 {} {0.300303317251 0.512565268084 0.672788695429} Si3 6 1
14 {} {0.511641644659 0.597184709665 0.452364501266} Si4 7 1
1 {} {0.334324690955 0.0969060704676 0.671628973576} H1 8 1
1 {} {0.218908432798 0.211086713136 0.48646321127} H2 9 1
1 {} {0.659039376505 0.228500320436 0.324366454475} H3 10 1
1 {} {0.705709697681 0.297214701656 0.556429564231} H4 11 1
1 {} {0.155536523057 0.543085827762 0.659494657149} H5 12 1
1 {} {0.357808896607 0.567413062455 0.79839229496} H6 13 1
1 {} {0.316182557987 0.913812363341 0.432061189597} H7 14 1
1 {} {0.474905835414 0.673197058712 0.33084530913} H8 15 1
1 {} {0.614646274689 0.666588296598 0.534206554007} H10 16 1
8 {} {0.375534290522 0.579476759564 0.54282307085} O 17 1
1 {} {0.280890888591 0.857938282 0.467908020206} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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