./iterations/neb0_image09_iter213.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472280288086 0.215446020996 0.493710699899} O1 1 1
14 {} {0.333095628639 0.215016302525 0.581824360282} Si1 2 1
14 {} {0.605931823188 0.296880442582 0.444966497687} Si2 3 1
8 {} {0.569725625449 0.451960432344 0.402749291419} O2 4 1
8 {} {0.322801789045 0.349008625239 0.676551102122} O3 5 1
14 {} {0.299890066934 0.512236782087 0.673142241709} Si3 6 1
14 {} {0.511279876519 0.597068489185 0.452811430084} Si4 7 1
1 {} {0.334640360473 0.0966444899006 0.671323176773} H1 8 1
1 {} {0.218542053552 0.211934426589 0.486613148246} H2 9 1
1 {} {0.659277823394 0.228972217865 0.324193663779} H3 10 1
1 {} {0.705301557927 0.299678408772 0.556231605218} H4 11 1
1 {} {0.154868310102 0.542460830666 0.659284219179} H5 12 1
1 {} {0.357361797391 0.568182235429 0.798513145406} H6 13 1
1 {} {0.317132225594 0.910615592685 0.430053881988} H7 14 1
1 {} {0.473993265413 0.674003461439 0.331405704213} H8 15 1
1 {} {0.615048084294 0.666498657235 0.53457413841} H10 16 1
8 {} {0.375597387836 0.57864631359 0.543211409926} O 17 1
1 {} {0.283318142429 0.857264230171 0.469897927781} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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