./iterations/neb0_image04_iter173.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466173567975 0.250441700801 0.48829006938} O1 1 1
14 {} {0.325671121445 0.229890481635 0.571469832543} Si1 2 1
14 {} {0.591051872216 0.346858071825 0.442691662078} Si2 3 1
8 {} {0.540195304365 0.49838891712 0.413053366683} O2 4 1
8 {} {0.297097799477 0.350981166793 0.677962361439} O3 5 1
14 {} {0.25664552899 0.507679169589 0.706210375183} Si3 6 1
14 {} {0.558034984293 0.661151687567 0.39832663383} Si4 7 1
1 {} {0.338594862804 0.105380407173 0.651370810524} H1 8 1
1 {} {0.215154369205 0.219597031175 0.471938683495} H2 9 1
1 {} {0.647924499319 0.291667971587 0.316667869988} H3 10 1
1 {} {0.691244081821 0.344659873123 0.553244969133} H4 11 1
1 {} {0.111166811212 0.518109787458 0.738935369564} H5 12 1
1 {} {0.341648229047 0.554692191233 0.819265652287} H6 13 1
1 {} {0.430701109733 0.73310334096 0.417355751992} H7 14 1
1 {} {0.608710792319 0.691128478531 0.261996097827} H8 15 1
1 {} {0.652982429008 0.711322355354 0.500398393753} H10 16 1
8 {} {0.29327679033 0.590952387642 0.568304498365} O 17 1
1 {} {0.243811893681 0.666512833978 0.533575673261} 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