./iterations/neb0_image08_iter40.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 {} {0.470860433643 0.217211510784 0.487932292689} O1 1 1
14 {} {0.334010711518 0.221543934848 0.578301756309} Si1 2 1
14 {} {0.60095280032 0.305562279323 0.44354832128} Si2 3 1
8 {} {0.553621609584 0.456944414653 0.400536006308} O2 4 1
8 {} {0.332333823433 0.355989395003 0.67206577613} O3 5 1
14 {} {0.296930228713 0.515879001246 0.673786199777} Si3 6 1
14 {} {0.503615666468 0.604423987229 0.452550185361} Si4 7 1
1 {} {0.334733483664 0.106529787551 0.67005078878} H1 8 1
1 {} {0.21689483437 0.222462725612 0.487419972845} H2 9 1
1 {} {0.661744794065 0.239839026409 0.326407356487} H3 10 1
1 {} {0.697777573509 0.319649080152 0.554939796217} H4 11 1
1 {} {0.149251850799 0.534988881516 0.671331817907} H5 12 1
1 {} {0.349355629038 0.571960853175 0.80146696879} H6 13 1
1 {} {0.332520001353 0.834922988528 0.415565782337} H7 14 1
1 {} {0.483961133636 0.68012259166 0.325753871736} H8 15 1
1 {} {0.606067150225 0.673356165803 0.540022046723} H10 16 1
8 {} {0.365222161202 0.588775799421 0.541589481831} O 17 1
1 {} {0.32023224069 0.822355545344 0.487789583894} 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