./iterations/neb0_image01_iter257.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.462539314049 0.25946866046 0.479647657671} O1 1 1
14 {} {0.32728961507 0.249256857781 0.571635053011} Si1 2 1
14 {} {0.595518664354 0.338702202593 0.426300345731} Si2 3 1
8 {} {0.554831516373 0.477961394094 0.349701796959} O2 4 1
8 {} {0.321640998072 0.369692537639 0.683110548446} O3 5 1
14 {} {0.25406537912 0.510912352899 0.732989735868} Si3 6 1
14 {} {0.540321887095 0.641413778398 0.358837144641} Si4 7 1
1 {} {0.331910060877 0.119727900135 0.643964472601} H1 8 1
1 {} {0.208587265878 0.258147154655 0.482511529135} H2 9 1
1 {} {0.662602107566 0.251514078784 0.326935729246} H3 10 1
1 {} {0.682756459717 0.371682457558 0.54235649347} H4 11 1
1 {} {0.107470550255 0.494217521564 0.746709236371} H5 12 1
1 {} {0.321097926721 0.546960125364 0.860657572811} H6 13 1
1 {} {0.40700668926 0.681318180638 0.305884332497} H7 14 1
1 {} {0.649520862573 0.705752692227 0.280748809474} H8 15 1
1 {} {0.552513760186 0.687137177201 0.501219288567} H10 16 1
8 {} {0.271763611073 0.632641888301 0.622008087536} O 17 1
1 {} {0.358649234266 0.676010745492 0.615840059369} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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