./iterations/neb0_image09_iter143.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 {} {0.472081439729 0.215941181233 0.494445606265} O1 1 1
14 {} {0.334368589063 0.21593937484 0.583778896045} Si1 2 1
14 {} {0.604355476274 0.299373410903 0.444339057038} Si2 3 1
8 {} {0.565389725806 0.452810677232 0.400191426762} O2 4 1
8 {} {0.325655841693 0.350963692604 0.677794940181} O3 5 1
14 {} {0.298432640844 0.513333642919 0.67195107354} Si3 6 1
14 {} {0.509062915104 0.598333230528 0.45170135071} Si4 7 1
1 {} {0.337211882295 0.0977762691099 0.67376629619} H1 8 1
1 {} {0.217799231112 0.212069680183 0.490674048467} H2 9 1
1 {} {0.65930362114 0.229714871577 0.325623546651} H3 10 1
1 {} {0.702942809779 0.305147571352 0.555650986264} H4 11 1
1 {} {0.152958786479 0.540431409818 0.656633980804} H5 12 1
1 {} {0.354071954187 0.57136409391 0.797036836985} H6 13 1
1 {} {0.321481438115 0.893685842739 0.419082499227} H7 14 1
1 {} {0.473327392624 0.67756543969 0.332028895423} H8 15 1
1 {} {0.612939245038 0.664506575638 0.535028281365} H10 16 1
8 {} {0.37249262153 0.580328038807 0.54213190501} O 17 1
1 {} {0.296210523076 0.853232942059 0.479198234996} 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