./iterations/neb0_image03_iter253.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.456506923395 0.267845631231 0.488109706197} O1 1 1
14 {} {0.323788558554 0.240397721467 0.579928962146} Si1 2 1
14 {} {0.585482118605 0.349616036421 0.429714557494} Si2 3 1
8 {} {0.536794659572 0.494048122818 0.368482644229} O2 4 1
8 {} {0.303189930996 0.354303468129 0.695135579941} O3 5 1
14 {} {0.253116718813 0.505364789466 0.738215575957} Si3 6 1
14 {} {0.565294150916 0.656787182169 0.362845866708} Si4 7 1
1 {} {0.341587532937 0.110561099031 0.649178778311} H1 8 1
1 {} {0.205636731655 0.238766319872 0.488799025019} H2 9 1
1 {} {0.644259243832 0.269432902103 0.318752942467} H3 10 1
1 {} {0.682778135503 0.374554882989 0.540701068539} H4 11 1
1 {} {0.104310692237 0.504086636912 0.744871625352} H5 12 1
1 {} {0.316910433651 0.539465116743 0.867523242696} H6 13 1
1 {} {0.433545695408 0.722574526983 0.334020244454} H7 14 1
1 {} {0.663401023103 0.68753970509 0.253856485998} H8 15 1
1 {} {0.623327648402 0.706454715561 0.491765665821} H10 16 1
8 {} {0.306835164142 0.620902080831 0.633216554558} O 17 1
1 {} {0.263320789017 0.629817125564 0.545939073939} 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