./iterations/neb0_image02_iter138.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.466777699984 0.243820304039 0.484790197223} O1 1 1
14 {} {0.329113245481 0.241223031702 0.574221784088} Si1 2 1
14 {} {0.590302594162 0.337467887673 0.430484448001} Si2 3 1
8 {} {0.533201508006 0.480215458106 0.373031370159} O2 4 1
8 {} {0.324846490977 0.368420215122 0.677932928782} O3 5 1
14 {} {0.257433003166 0.512803026623 0.720147033142} Si3 6 1
14 {} {0.541503269235 0.64474609895 0.370488092923} Si4 7 1
1 {} {0.33101684477 0.115904704176 0.654823232159} H1 8 1
1 {} {0.211311991859 0.245764384054 0.482967543681} H2 9 1
1 {} {0.656459356875 0.263386095869 0.319585016192} H3 10 1
1 {} {0.683762355665 0.36551675156 0.543244045018} H4 11 1
1 {} {0.111076263615 0.493564351406 0.740428705723} H5 12 1
1 {} {0.32831820264 0.556615835446 0.843427253118} H6 13 1
1 {} {0.406695620682 0.697182856217 0.337580506718} H7 14 1
1 {} {0.640773476909 0.688267181431 0.267563393274} H8 15 1
1 {} {0.584024024305 0.697956975386 0.504028340373} H10 16 1
8 {} {0.272835744353 0.625590195286 0.600528647185} O 17 1
1 {} {0.340634405609 0.694072616407 0.605785535622} 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