./iterations/neb0_image09_iter246.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 {} {0.472468123886 0.214871708531 0.49418220697} O1 1 1
14 {} {0.333384798801 0.215041864347 0.581710226697} Si1 2 1
14 {} {0.60658047536 0.295804227864 0.445581110117} Si2 3 1
8 {} {0.570264927936 0.451035333258 0.405332631442} O2 4 1
8 {} {0.322524918236 0.34975018749 0.675495659196} O3 5 1
14 {} {0.300508757411 0.512876750746 0.672517080836} Si3 6 1
14 {} {0.511797868294 0.596983417131 0.452377086374} Si4 7 1
1 {} {0.334160824569 0.0971698140168 0.671928696584} H1 8 1
1 {} {0.219038987729 0.210637521498 0.486280535467} H2 9 1
1 {} {0.658932492494 0.228383584011 0.32435119343} H3 10 1
1 {} {0.705925566145 0.295692769395 0.556550278825} H4 11 1
1 {} {0.155770257114 0.543621470302 0.659625768311} H5 12 1
1 {} {0.35829770758 0.567030877053 0.798258081025} H6 13 1
1 {} {0.315382997043 0.915469628507 0.433402763354} H7 14 1
1 {} {0.475361172002 0.672876995772 0.330313699191} H8 15 1
1 {} {0.614776458621 0.66685240371 0.534007878779} H10 16 1
8 {} {0.375413845154 0.579835590576 0.542543107075} O 17 1
1 {} {0.279495958167 0.858583800927 0.466599633286} 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