./iterations/neb0_image02_iter272.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.456145200524 0.268040610327 0.487670453314} O1 1 1
14 {} {0.325772136412 0.240411898831 0.583635925671} Si1 2 1
14 {} {0.583577377044 0.350121143761 0.427740313141} Si2 3 1
8 {} {0.534618922123 0.494222431286 0.36542424628} O2 4 1
8 {} {0.311083969214 0.357396171504 0.699121976946} O3 5 1
14 {} {0.241235784531 0.502394223361 0.733408902731} Si3 6 1
14 {} {0.564824349074 0.655758137087 0.355919547174} Si4 7 1
1 {} {0.346978879173 0.110327169185 0.652143950739} H1 8 1
1 {} {0.204009902394 0.237974901041 0.497005474795} H2 9 1
1 {} {0.642035980277 0.268010584023 0.318239417165} H3 10 1
1 {} {0.682129755143 0.375040968683 0.537479834638} H4 11 1
1 {} {0.0945015059148 0.484180363348 0.752691369121} H5 12 1
1 {} {0.310788697001 0.55338977747 0.855593568845} H6 13 1
1 {} {0.439101231207 0.721515140173 0.312762830471} H7 14 1
1 {} {0.674499180166 0.683666313355 0.258883265117} H8 15 1
1 {} {0.603594861526 0.708248668197 0.491165054216} H10 16 1
8 {} {0.254123927034 0.610870925419 0.608674000998} O 17 1
1 {} {0.341064745866 0.650948775733 0.593497632079} 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