./iterations/neb0_image09_iter280.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 {} {0.472702788544 0.211175155368 0.494884904439} O1 1 1
14 {} {0.333347598356 0.214438076202 0.582025446502} Si1 2 1
14 {} {0.606785884284 0.293386271815 0.447261199828} Si2 3 1
8 {} {0.571363610562 0.449574659361 0.410744726859} O2 4 1
8 {} {0.322526420076 0.35149866298 0.672253092686} O3 5 1
14 {} {0.300429119631 0.514516996123 0.670500922945} Si3 6 1
14 {} {0.512413195784 0.596930656551 0.452441804725} Si4 7 1
1 {} {0.334065692678 0.0995049263441 0.675918206475} H1 8 1
1 {} {0.218976637325 0.208727759593 0.486603525942} H2 9 1
1 {} {0.658251961458 0.229125428524 0.323960266754} H3 10 1
1 {} {0.707197058975 0.290273078921 0.557284974799} H4 11 1
1 {} {0.155514432799 0.545717924896 0.660326025204} H5 12 1
1 {} {0.360634635216 0.567889220276 0.795417865719} H6 13 1
1 {} {0.313132618074 0.919288275245 0.437522031091} H7 14 1
1 {} {0.478407909919 0.670006929178 0.32816904243} H8 15 1
1 {} {0.614992779981 0.66886754942 0.533080918385} H10 16 1
8 {} {0.373829569294 0.582389458675 0.539806416105} O 17 1
1 {} {0.275514290268 0.85920686476 0.46285627996} 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