./iterations/neb0_image08_iter294.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 {} {0.474051852395 0.212357287744 0.494205966987} O1 1 1
14 {} {0.334523003662 0.214183984455 0.58007455313} Si1 2 1
14 {} {0.611043775256 0.293555084675 0.453208664888} Si2 3 1
8 {} {0.580258383962 0.45268709279 0.430934155375} O2 4 1
8 {} {0.319106060333 0.35517778171 0.662578381681} O3 5 1
14 {} {0.296147419871 0.517540668302 0.657303252738} Si3 6 1
14 {} {0.504487412316 0.597587695269 0.442555217665} Si4 7 1
1 {} {0.33622753659 0.104374982759 0.679700507383} H1 8 1
1 {} {0.222666087934 0.199947272217 0.483464288119} H2 9 1
1 {} {0.6629414791 0.23810684898 0.324994463474} H3 10 1
1 {} {0.709685418271 0.278942767398 0.564193962442} H4 11 1
1 {} {0.150729073522 0.54740233898 0.659145475115} H5 12 1
1 {} {0.367293805338 0.577474722303 0.773592306691} H6 13 1
1 {} {0.319246783508 0.911941531751 0.468830976079} H7 14 1
1 {} {0.47762208079 0.649239470775 0.305988592871} H8 15 1
1 {} {0.590980225518 0.689114260639 0.522419780903} H10 16 1
8 {} {0.358811743726 0.579345470464 0.518067768909} O 17 1
1 {} {0.294264003419 0.853538535633 0.509799472372} 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