./iterations/neb0_image07_iter180.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471678721034 0.23929491163 0.494492457199} O1 1 1
14 {} {0.332551703212 0.221520693218 0.579256400189} Si1 2 1
14 {} {0.616287856626 0.303202110347 0.451216124707} Si2 3 1
8 {} {0.599192629671 0.464088773688 0.419595298762} O2 4 1
8 {} {0.304292855157 0.348225223411 0.682031271417} O3 5 1
14 {} {0.290852340087 0.509874398765 0.654714217122} Si3 6 1
14 {} {0.495882600953 0.590389758717 0.437099828793} Si4 7 1
1 {} {0.345483229168 0.100154643995 0.663025073314} H1 8 1
1 {} {0.221924792615 0.212408273408 0.479508625582} H2 9 1
1 {} {0.664482434387 0.236381947721 0.327655186687} H3 10 1
1 {} {0.712416717276 0.283734387193 0.563058886825} H4 11 1
1 {} {0.147597167117 0.54919409341 0.656018937317} H5 12 1
1 {} {0.368906093318 0.583844655998 0.757709718732} H6 13 1
1 {} {0.346747534784 0.904503380833 0.497871124867} H7 14 1
1 {} {0.461913519212 0.645425595404 0.303528512666} H8 15 1
1 {} {0.559528694145 0.691430377704 0.525937594211} H10 16 1
8 {} {0.353238469124 0.543608565643 0.505264913377} O 17 1
1 {} {0.31710860909 0.845236022471 0.533073648796} 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