./iterations/neb0_image03_iter53.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 {} {0.468182087731 0.230039462675 0.47968452861} O1 1 1
14 {} {0.330067203153 0.23907750707 0.568770486479} Si1 2 1
14 {} {0.590890020668 0.331251529901 0.434677663857} Si2 3 1
8 {} {0.531374196867 0.475890361422 0.385988908936} O2 4 1
8 {} {0.331907066835 0.373554333032 0.663254221574} O3 5 1
14 {} {0.27285095735 0.519487245553 0.707217649678} Si3 6 1
14 {} {0.52712962206 0.641201388288 0.3902992695} Si4 7 1
1 {} {0.328465773012 0.120866214244 0.65901343485} H1 8 1
1 {} {0.212847350961 0.240271351808 0.476300168314} H2 9 1
1 {} {0.659559801919 0.263971004287 0.32048098981} H3 10 1
1 {} {0.685548344906 0.349763731508 0.55001704711} H4 11 1
1 {} {0.124632758681 0.515088591664 0.719910574302} H5 12 1
1 {} {0.338976161934 0.560285082578 0.833647383717} H6 13 1
1 {} {0.389339042984 0.693737461114 0.376215915056} H7 14 1
1 {} {0.603261709906 0.691474890058 0.272948238401} H8 15 1
1 {} {0.588594429384 0.689977568752 0.517031511356} H10 16 1
8 {} {0.31469634246 0.619738683522 0.584570952045} O 17 1
1 {} {0.311763240571 0.716841557503 0.591029045238} 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