iterations/neb0_image09_iter71.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 {} {0.472409372576 0.213018437045 0.494738162664} O1 1 1
14 {} {0.336160047938 0.216375342006 0.586534021666} Si1 2 1
14 {} {0.603072065782 0.298946211693 0.445052411042} Si2 3 1
8 {} {0.559755145557 0.451656992274 0.402043926678} O2 4 1
8 {} {0.328869315414 0.354890305542 0.674739210142} O3 5 1
14 {} {0.296577374137 0.51619748024 0.66944623549} Si3 6 1
14 {} {0.506615384378 0.599070666201 0.451146272913} Si4 7 1
1 {} {0.340022657686 0.102455675842 0.681442675682} H1 8 1
1 {} {0.218447617794 0.209085187516 0.495975981254} H2 9 1
1 {} {0.658878416682 0.23222317479 0.324821026907} H3 10 1
1 {} {0.701782946197 0.306337644445 0.5565220731} H4 11 1
1 {} {0.150319213256 0.538174616411 0.65553795609} H5 12 1
1 {} {0.351295698195 0.576559049458 0.793835952389} H6 13 1
1 {} {0.323488141893 0.877968129336 0.41371837158} H7 14 1
1 {} {0.475882435994 0.678449035422 0.32950756273} H8 15 1
1 {} {0.61089440932 0.663666718553 0.536009850448} H10 16 1
8 {} {0.368368587205 0.585201262174 0.538226807439} O 17 1
1 {} {0.307247335758 0.852242011193 0.481759479927} 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