./iterations/neb0_image07_iter46.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 {} {0.469701457185 0.219397478198 0.482562233935} O1 1 1
14 {} {0.332192984452 0.225545964072 0.571235261896} Si1 2 1
14 {} {0.598754342033 0.313097850479 0.442561429903} Si2 3 1
8 {} {0.548449165929 0.462530860533 0.400528881067} O2 4 1
8 {} {0.33396086912 0.354878322772 0.671725620546} O3 5 1
14 {} {0.296920672382 0.515449793369 0.680691089361} Si3 6 1
14 {} {0.50148078765 0.610652996384 0.454094094675} Si4 7 1
1 {} {0.32891437881 0.107977923245 0.65967180334} H1 8 1
1 {} {0.215354078686 0.234014819221 0.479657243307} H2 9 1
1 {} {0.663378577464 0.250295689111 0.325389986941} H3 10 1
1 {} {0.693665500808 0.329879431717 0.555736284411} H4 11 1
1 {} {0.148381259322 0.534549723584 0.680081650814} H5 12 1
1 {} {0.350827705139 0.570072160626 0.808555042593} H6 13 1
1 {} {0.344321648552 0.809243340932 0.417669301997} H7 14 1
1 {} {0.488847426413 0.683548455183 0.325048114143} H8 15 1
1 {} {0.60110291598 0.681174736951 0.542229228915} H10 16 1
8 {} {0.364654605156 0.590353071671 0.549372325861} O 17 1
1 {} {0.32917777788 0.779855342414 0.484248384642} 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