iterations/neb0_image06_iter140.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.471009990724 0.230055184273 0.486018795872} O1 1 1
14 {} {0.330135754985 0.222608029869 0.569585910293} Si1 2 1
14 {} {0.604610203763 0.320100612398 0.450403446303} Si2 3 1
8 {} {0.573621980175 0.47871104422 0.431453853992} O2 4 1
8 {} {0.313524835304 0.352891956995 0.670535219034} O3 5 1
14 {} {0.286380237144 0.514479475436 0.660894083792} Si3 6 1
14 {} {0.487909066286 0.616472569407 0.446771757669} Si4 7 1
1 {} {0.331693654875 0.104683341594 0.6591280624} H1 8 1
1 {} {0.217311170583 0.219132786756 0.472311870556} H2 9 1
1 {} {0.658525484066 0.267919061647 0.322680897075} H3 10 1
1 {} {0.704159729635 0.312777041497 0.560694644074} H4 11 1
1 {} {0.140566400946 0.536243236584 0.688380157827} H5 12 1
1 {} {0.369251013537 0.586643146211 0.762614827447} H6 13 1
1 {} {0.393196146594 0.808166753522 0.495452286222} H7 14 1
1 {} {0.474585374236 0.670724200423 0.309245743592} H8 15 1
1 {} {0.586505393418 0.697695892513 0.523127966116} H10 16 1
8 {} {0.335492069499 0.567819724628 0.511170427239} O 17 1
1 {} {0.331607529026 0.765393803686 0.510588036589} 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