./iterations/neb0_image03_iter54.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468200140527 0.230077917275 0.479695156058} O1 1 1
14 {} {0.330094571065 0.238998512574 0.568831548447} Si1 2 1
14 {} {0.590889765238 0.331305294868 0.434627449066} Si2 3 1
8 {} {0.53133378595 0.475884177224 0.386066180736} O2 4 1
8 {} {0.331705159523 0.373385408754 0.663493783887} O3 5 1
14 {} {0.272864229402 0.519525752561 0.707129308808} Si3 6 1
14 {} {0.527237442933 0.641247459148 0.390230760564} Si4 7 1
1 {} {0.328453561791 0.120776821775 0.659126884344} H1 8 1
1 {} {0.212776436749 0.240255735021 0.476347213041} H2 9 1
1 {} {0.659437172569 0.26428292557 0.320274850552} H3 10 1
1 {} {0.685378726615 0.350017502502 0.549976633401} H4 11 1
1 {} {0.124552437407 0.515091519403 0.719950994866} H5 12 1
1 {} {0.338925452993 0.560383647358 0.833730831918} H6 13 1
1 {} {0.389399044013 0.693706578059 0.375929531372} H7 14 1
1 {} {0.603571605142 0.691265423244 0.273184842693} H8 15 1
1 {} {0.588951744639 0.690127399028 0.516768066059} H10 16 1
8 {} {0.31470126327 0.619186394686 0.584698785203} O 17 1
1 {} {0.311613571955 0.716999495038 0.59099516771} 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