iterations/neb0_image08_iter264.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472956531693 0.219777315972 0.493659215177} O1 1 1
14 {} {0.331893644647 0.216625041577 0.577908599899} Si1 2 1
14 {} {0.613337581188 0.294628441864 0.453074305254} Si2 3 1
8 {} {0.58894309811 0.454711014586 0.426051007359} O2 4 1
8 {} {0.315266243637 0.351635350923 0.670247826192} O3 5 1
14 {} {0.298771266209 0.515022831191 0.663655487322} Si3 6 1
14 {} {0.508936505191 0.596432223646 0.44543574922} Si4 7 1
1 {} {0.334321617137 0.0997374427119 0.669505062404} H1 8 1
1 {} {0.220981764093 0.209179528917 0.478706669421} H2 9 1
1 {} {0.663538419869 0.232252062162 0.327266920607} H3 10 1
1 {} {0.711398780552 0.279200432529 0.564859892325} H4 11 1
1 {} {0.154647525341 0.551585576857 0.658811709091} H5 12 1
1 {} {0.367486896507 0.571013443477 0.783367934379} H6 13 1
1 {} {0.313321291301 0.916686002007 0.476119055913} H7 14 1
1 {} {0.474343011976 0.651552158445 0.311909265789} H8 15 1
1 {} {0.595986253111 0.688394206872 0.523489971656} H10 16 1
8 {} {0.367493850498 0.57248630243 0.525460773117} O 17 1
1 {} {0.276461923733 0.851598506273 0.481528296811} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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