./iterations/neb0_image09_iter182.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 {} {0.472017107375 0.21645160581 0.494073992752} O1 1 1
14 {} {0.333555383821 0.215524380069 0.582351485466} Si1 2 1
14 {} {0.605504927726 0.298246611629 0.444514741307} Si2 3 1
8 {} {0.568051299054 0.452367200557 0.400955538148} O2 4 1
8 {} {0.323224033346 0.349258295616 0.67801240199} O3 5 1
14 {} {0.299181053713 0.511929517169 0.672962654891} Si3 6 1
14 {} {0.510427438967 0.597520403611 0.452137936369} Si4 7 1
1 {} {0.335755155557 0.0971279304789 0.671494845789} H1 8 1
1 {} {0.21827072912 0.212780026743 0.488090610344} H2 9 1
1 {} {0.659505057547 0.229154707002 0.324805237549} H3 10 1
1 {} {0.70451983189 0.302267221027 0.555996589473} H4 11 1
1 {} {0.153976129891 0.540799073305 0.659153805525} H5 12 1
1 {} {0.355473107249 0.568310599593 0.798422889402} H6 13 1
1 {} {0.318982727681 0.904723257005 0.425495371604} H7 14 1
1 {} {0.474146471897 0.676180701509 0.331844734591} H8 15 1
1 {} {0.614792323945 0.665574104367 0.533846387317} H10 16 1
8 {} {0.374543485348 0.578262709685 0.542905431863} O 17 1
1 {} {0.288159842152 0.856039579878 0.473993059319} 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