./iterations/neb0_image03_iter171.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 {} {0.45998916238 0.260141701855 0.493542927828} O1 1 1
14 {} {0.324733328622 0.235499639446 0.582984717733} Si1 2 1
14 {} {0.582445716017 0.350042127997 0.431977458762} Si2 3 1
8 {} {0.528760611389 0.493182090286 0.373415736648} O2 4 1
8 {} {0.308244333807 0.349786690745 0.699984265443} O3 5 1
14 {} {0.262316047762 0.504619200033 0.731344474342} Si3 6 1
14 {} {0.55745082519 0.655516393702 0.36419115544} Si4 7 1
1 {} {0.338145885004 0.102242568263 0.648454613544} H1 8 1
1 {} {0.206381310728 0.239681394484 0.491994489063} H2 9 1
1 {} {0.640106081492 0.272163386654 0.318935730924} H3 10 1
1 {} {0.683970763448 0.374769533189 0.53941687837} H4 11 1
1 {} {0.113755018993 0.51602605798 0.727178137753} H5 12 1
1 {} {0.320208288281 0.537445323015 0.863899288205} H6 13 1
1 {} {0.431265459036 0.724119501353 0.326679192016} H7 14 1
1 {} {0.660255277268 0.680422418107 0.259898876625} H8 15 1
1 {} {0.60757058358 0.707822298159 0.493523439636} H10 16 1
8 {} {0.32473222802 0.608518826188 0.616809165671} O 17 1
1 {} {0.259755278846 0.660518902542 0.566827255049} 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