./iterations/neb0_image03_iter48.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468268022103 0.230928320637 0.479861704631} O1 1 1
14 {} {0.330510877697 0.239468820916 0.568462772177} Si1 2 1
14 {} {0.590924412051 0.330767669887 0.43491417056} Si2 3 1
8 {} {0.531263901181 0.4753571513 0.38607018632} O2 4 1
8 {} {0.332841563838 0.373715053349 0.661526365287} O3 5 1
14 {} {0.272895052924 0.5194696476 0.70767562964} Si3 6 1
14 {} {0.526435156967 0.64079792041 0.390170203302} Si4 7 1
1 {} {0.328365807545 0.121368018282 0.658187566846} H1 8 1
1 {} {0.213590998497 0.240343494097 0.476486112294} H2 9 1
1 {} {0.659916139455 0.262466415244 0.322420369246} H3 10 1
1 {} {0.685830787752 0.347992022729 0.549481024869} H4 11 1
1 {} {0.125014490007 0.514967880054 0.719651890736} H5 12 1
1 {} {0.339262044368 0.559676727817 0.833651149049} H6 13 1
1 {} {0.389287711497 0.694222673667 0.377847129319} H7 14 1
1 {} {0.601865593941 0.692961445833 0.270838741322} H8 15 1
1 {} {0.586606172417 0.689323170899 0.51923173821} H10 16 1
8 {} {0.31487832224 0.62191479671 0.58341414252} O 17 1
1 {} {0.312329058265 0.716776738772 0.591167089722} 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