iterations/neb0_image02_iter35.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.46803639092 0.238216823762 0.474970555529} O1 1 1
14 {} {0.329868510098 0.246483862947 0.562677019843} Si1 2 1
14 {} {0.596290355473 0.331215193302 0.432238603823} Si2 3 1
8 {} {0.543267786804 0.47526666714 0.374518054003} O2 4 1
8 {} {0.333968571953 0.377362607015 0.659140277141} O3 5 1
14 {} {0.269695005912 0.517362753612 0.716969008435} Si3 6 1
14 {} {0.528748026193 0.639867195652 0.378397862881} Si4 7 1
1 {} {0.321836827015 0.123064258227 0.645374075178} H1 8 1
1 {} {0.214798661175 0.253201151185 0.468772447804} H2 9 1
1 {} {0.668458749905 0.254898927965 0.328263774525} H3 10 1
1 {} {0.684575779166 0.348620399208 0.550068704916} H4 11 1
1 {} {0.124731066294 0.499055779796 0.736649411195} H5 12 1
1 {} {0.340892360026 0.545914793143 0.844464035884} H6 13 1
1 {} {0.388332625184 0.679526557683 0.358465700638} H7 14 1
1 {} {0.611501633482 0.702412472568 0.268480667596} H8 15 1
1 {} {0.568032504214 0.687764032016 0.516288513689} H10 16 1
8 {} {0.280661751601 0.63583801041 0.602619585993} O 17 1
1 {} {0.33638954425 0.716446475086 0.612699689909} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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