./iterations/neb0_image09_iter283.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 {} {0.472683877324 0.210680502038 0.495022408389} O1 1 1
14 {} {0.333425746917 0.214169660295 0.582115310549} Si1 2 1
14 {} {0.606728387169 0.292864981517 0.44759585536} Si2 3 1
8 {} {0.571532625115 0.449081979542 0.411983496463} O2 4 1
8 {} {0.322642266325 0.352018098201 0.67127645409} O3 5 1
14 {} {0.300500089798 0.514998713586 0.669800548893} Si3 6 1
14 {} {0.512464883263 0.596881425731 0.452487710352} Si4 7 1
1 {} {0.33407674013 0.100205459495 0.676890976227} H1 8 1
1 {} {0.219094246933 0.208149950546 0.48707946927} H2 9 1
1 {} {0.658027160312 0.229190400146 0.323862040547} H3 10 1
1 {} {0.70732718841 0.28964878529 0.557346511512} H4 11 1
1 {} {0.155276148585 0.546028286186 0.660404357772} H5 12 1
1 {} {0.361012497712 0.568544732755 0.794729154762} H6 13 1
1 {} {0.312950990536 0.919576804752 0.438232717624} H7 14 1
1 {} {0.479268504914 0.669232625905 0.32730833198} H8 15 1
1 {} {0.614630527866 0.669315639439 0.533152724366} H10 16 1
8 {} {0.373336964211 0.582946396765 0.539539045281} O 17 1
1 {} {0.275107370685 0.85898344206 0.462230535953} 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