iterations/neb0_image04_iter129.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466249137306 0.239935214443 0.489108455043} O1 1 1
14 {} {0.327493267815 0.228001089218 0.575175514756} Si1 2 1
14 {} {0.586346804053 0.341472455464 0.440930353409} Si2 3 1
8 {} {0.525990676512 0.489519251507 0.407455861162} O2 4 1
8 {} {0.315028714597 0.35421057353 0.680662016947} O3 5 1
14 {} {0.275902794585 0.511553105584 0.701072676279} Si3 6 1
14 {} {0.534182095339 0.655296138285 0.401805689063} Si4 7 1
1 {} {0.331413439993 0.102277939787 0.654724194273} H1 8 1
1 {} {0.20939643045 0.229495323652 0.48353925841} H2 9 1
1 {} {0.64460281003 0.279209728607 0.318918277643} H3 10 1
1 {} {0.686546918572 0.354218676318 0.5509597125} H4 11 1
1 {} {0.128545600733 0.527429918928 0.70184323147} H5 12 1
1 {} {0.340552567748 0.557220982087 0.826100896957} H6 13 1
1 {} {0.408542696705 0.736339609875 0.397769983903} H7 14 1
1 {} {0.594741510041 0.685752159582 0.269590723155} H8 15 1
1 {} {0.618155554126 0.703581048621 0.515303192096} H10 16 1
8 {} {0.334817631482 0.601844659239 0.575531118526} O 17 1
1 {} {0.28157741145 0.675160042563 0.540566850585} 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