iterations/neb0_image09_iter285.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 {} {0.472807004343 0.210664446717 0.495108640492} O1 1 1
14 {} {0.333499430681 0.214208799223 0.582286028178} Si1 2 1
14 {} {0.606722664677 0.292746902784 0.447713549109} Si2 3 1
8 {} {0.571314842797 0.449045789407 0.412395514229} O2 4 1
8 {} {0.322760383158 0.352280508966 0.670991059306} O3 5 1
14 {} {0.300518718021 0.515247961811 0.669570576709} Si3 6 1
14 {} {0.512418499061 0.596919480285 0.452368254461} Si4 7 1
1 {} {0.334085954246 0.100324040752 0.677267409697} H1 8 1
1 {} {0.219186496424 0.207909548808 0.487242042486} H2 9 1
1 {} {0.657998143801 0.229262883641 0.323897882949} H3 10 1
1 {} {0.707282327152 0.2891558435 0.557433448891} H4 11 1
1 {} {0.155263956414 0.546087028047 0.660307518954} H5 12 1
1 {} {0.361104804397 0.568695539176 0.794503863005} H6 13 1
1 {} {0.312869314964 0.919242076605 0.438377545867} H7 14 1
1 {} {0.479385632656 0.66922557838 0.327118199152} H8 15 1
1 {} {0.614463207704 0.669255683152 0.533135182841} H10 16 1
8 {} {0.373155970317 0.583259229211 0.539278357082} O 17 1
1 {} {0.275248871575 0.858986538028 0.462062577519} 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