iterations/neb0_image05_iter132.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471017935616 0.228231163686 0.486934386181} O1 1 1
14 {} {0.330291558155 0.223619276573 0.570045772104} Si1 2 1
14 {} {0.593230049296 0.333452279376 0.45009522294} Si2 3 1
8 {} {0.536365924315 0.487314689133 0.440274356784} O2 4 1
8 {} {0.319213595978 0.358828143389 0.664214374063} O3 5 1
14 {} {0.280119943672 0.516007490862 0.677438269398} Si3 6 1
14 {} {0.515022409248 0.652067067097 0.430339967067} Si4 7 1
1 {} {0.33041773945 0.107035972042 0.6608237075} H1 8 1
1 {} {0.215763823346 0.221223502393 0.476632543614} H2 9 1
1 {} {0.651152123112 0.280875919505 0.322786298627} H3 10 1
1 {} {0.697488494716 0.327822247294 0.557394303283} H4 11 1
1 {} {0.134499945736 0.532420772476 0.698522650457} H5 12 1
1 {} {0.363225728865 0.580900868449 0.782422092792} H6 13 1
1 {} {0.421788916382 0.77375923064 0.454696851042} H7 14 1
1 {} {0.52158247574 0.670299948598 0.282238099439} H8 15 1
1 {} {0.62300341044 0.697234423463 0.519460061317} H10 16 1
8 {} {0.313447051038 0.592802337897 0.53192933849} O 17 1
1 {} {0.292454928793 0.688622583377 0.524809717716} 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