./iterations/neb0_image07_iter240.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 {} {0.475990305603 0.223921258871 0.498379897351} O1 1 1
14 {} {0.335677959396 0.214148893358 0.583051379239} Si1 2 1
14 {} {0.615686908485 0.297098933496 0.454322987572} Si2 3 1
8 {} {0.593321817671 0.457414501645 0.427606881132} O2 4 1
8 {} {0.310875843721 0.350318708447 0.672264112455} O3 5 1
14 {} {0.291041031693 0.511505741836 0.647217915743} Si3 6 1
14 {} {0.496861311876 0.589779022323 0.431041922926} Si4 7 1
1 {} {0.342908432527 0.100371081517 0.677456413162} H1 8 1
1 {} {0.224356040629 0.197307910052 0.485521343741} H2 9 1
1 {} {0.659926529242 0.232984700711 0.328099614637} H3 10 1
1 {} {0.71715805002 0.284257181859 0.562408154185} H4 11 1
1 {} {0.147263583359 0.547891702946 0.646562834147} H5 12 1
1 {} {0.36607581329 0.579937240029 0.755961994957} H6 13 1
1 {} {0.340108602044 0.928684307587 0.505170558063} H7 14 1
1 {} {0.469533402979 0.634239989287 0.29249818744} H8 15 1
1 {} {0.561814573356 0.694421626851 0.514648801039} H10 16 1
8 {} {0.349981744776 0.553696695274 0.500541154935} O 17 1
1 {} {0.31150391357 0.87453832667 0.548303589325} 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