./iterations/neb0_image09_iter32.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 {} {0.471616645674 0.214079230295 0.49469435185} O1 1 1
14 {} {0.336036966879 0.216883768986 0.586913800573} Si1 2 1
14 {} {0.60272351971 0.299009523965 0.444603075265} Si2 3 1
8 {} {0.558359011725 0.450942085575 0.401750562248} O2 4 1
8 {} {0.328866870425 0.35631708819 0.674258734914} O3 5 1
14 {} {0.296401615751 0.516872420274 0.668285277415} Si3 6 1
14 {} {0.50743827017 0.599226525013 0.450083890113} Si4 7 1
1 {} {0.341963307412 0.104608633992 0.683463930682} H1 8 1
1 {} {0.21805158853 0.20806794779 0.496745764887} H2 9 1
1 {} {0.658482832142 0.229383191101 0.326110266879} H3 10 1
1 {} {0.702711608299 0.307741757458 0.554737048777} H4 11 1
1 {} {0.149148936821 0.535520758217 0.660341350277} H5 12 1
1 {} {0.346961432229 0.574065838463 0.795881239138} H6 13 1
1 {} {0.323225689043 0.880314328683 0.412111950128} H7 14 1
1 {} {0.48381514189 0.674797068644 0.324770669577} H8 15 1
1 {} {0.610209379851 0.665640420521 0.53592028757} H10 16 1
8 {} {0.367356392992 0.58515059932 0.538108246787} O 17 1
1 {} {0.306716954403 0.853896757104 0.48227754792} 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