./iterations/neb0_image08_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.473123054122 0.219556783842 0.493605991556} O1 1 1
14 {} {0.331964910868 0.216528445171 0.577966075914} Si1 2 1
14 {} {0.61323873796 0.294621512772 0.453094312855} Si2 3 1
8 {} {0.588735394206 0.454792103641 0.426132521814} O2 4 1
8 {} {0.315406528913 0.351717956934 0.670119305852} O3 5 1
14 {} {0.298796766161 0.515242571883 0.663379228573} Si3 6 1
14 {} {0.508844628761 0.596461103276 0.445391928947} Si4 7 1
1 {} {0.334326109273 0.0997329439596 0.66973465658} H1 8 1
1 {} {0.220998859577 0.209006400922 0.478782551421} H2 9 1
1 {} {0.663529559466 0.232355670828 0.327249605711} H3 10 1
1 {} {0.711309662543 0.279157636899 0.564828207722} H4 11 1
1 {} {0.154514256081 0.551518397895 0.658703157851} H5 12 1
1 {} {0.367593756283 0.5711860817 0.78318285457} H6 13 1
1 {} {0.313450178517 0.916395836226 0.475736102573} H7 14 1
1 {} {0.474272272616 0.651619465572 0.311930411473} H8 15 1
1 {} {0.595819295094 0.688283190528 0.523483771796} H10 16 1
8 {} {0.367220254154 0.572702925197 0.525450236189} O 17 1
1 {} {0.27694197756 0.851638854804 0.482286820883} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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