./iterations/neb0_image05_iter123.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471297948797 0.227266041822 0.488433210976} O1 1 1
14 {} {0.330956267929 0.224191834088 0.571938071099} Si1 2 1
14 {} {0.592968701663 0.333091362868 0.448952758842} Si2 3 1
8 {} {0.534605449311 0.483820793711 0.431404847138} O2 4 1
8 {} {0.322491054475 0.357950341086 0.669346103128} O3 5 1
14 {} {0.284249300895 0.515324042357 0.678408774296} Si3 6 1
14 {} {0.508844418729 0.651244252075 0.42861466283} Si4 7 1
1 {} {0.329256305527 0.104316576442 0.660632895353} H1 8 1
1 {} {0.21317784623 0.225182087733 0.479008215335} H2 9 1
1 {} {0.650138135935 0.278017193279 0.323117720609} H3 10 1
1 {} {0.69490423279 0.328907508556 0.557405718899} H4 11 1
1 {} {0.137894507889 0.534395034248 0.688461244108} H5 12 1
1 {} {0.360064213786 0.577758012939 0.789261911617} H6 13 1
1 {} {0.414463052763 0.774582245379 0.444626519331} H7 14 1
1 {} {0.523846221132 0.673927658952 0.281649240675} H8 15 1
1 {} {0.612753701617 0.697153729813 0.526093349646} H10 16 1
8 {} {0.32748998757 0.595464542533 0.535605856983} O 17 1
1 {} {0.300684723838 0.689924662446 0.528096901874} 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