./iterations/neb0_image04_iter299.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470425962108 0.260390433102 0.490966459325} O1 1 1
14 {} {0.327251960758 0.232542521713 0.565391162605} Si1 2 1
14 {} {0.604186663375 0.346206882603 0.45154815557} Si2 3 1
8 {} {0.565473441867 0.504655208497 0.444129862026} O2 4 1
8 {} {0.281289060711 0.355182131928 0.664549376726} O3 5 1
14 {} {0.231789645002 0.508294590493 0.69413590277} Si3 6 1
14 {} {0.590336034413 0.662625990312 0.407703386342} Si4 7 1
1 {} {0.343261417697 0.112855208717 0.652942260178} H1 8 1
1 {} {0.225961967101 0.208413308309 0.457528541771} H2 9 1
1 {} {0.651771935181 0.297881490777 0.319201531125} H3 10 1
1 {} {0.706163323058 0.323815560488 0.557218015752} H4 11 1
1 {} {0.111170013791 0.500048624189 0.782216148522} H5 12 1
1 {} {0.341706242412 0.581326297562 0.76403564064} H6 13 1
1 {} {0.476650230587 0.743491704331 0.459427795838} H7 14 1
1 {} {0.600551437169 0.68198579356 0.25978708416} H8 15 1
1 {} {0.715660328282 0.709044946474 0.472624578279} H10 16 1
8 {} {0.194304838047 0.574782947362 0.547162574886} O 17 1
1 {} {0.172131417555 0.668974076784 0.540489896613} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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