iterations/neb0_image05_iter12.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468915458768 0.227859580738 0.483231923797} O1 1 1
14 {} {0.331525026674 0.229918902596 0.571230054116} Si1 2 1
14 {} {0.603192091932 0.312372802001 0.43876893061} Si2 3 1
8 {} {0.557250999336 0.462870686987 0.384028016899} O2 4 1
8 {} {0.331567220916 0.368037028904 0.669358504201} O3 5 1
14 {} {0.280477779994 0.521603763644 0.695334373232} Si3 6 1
14 {} {0.511136832583 0.624957438621 0.413201578408} Si4 7 1
1 {} {0.330545622009 0.113640878392 0.662894335336} H1 8 1
1 {} {0.215010413042 0.234147468052 0.478809312752} H2 9 1
1 {} {0.667115501897 0.237419862856 0.326984104102} H3 10 1
1 {} {0.695296820991 0.327996289172 0.555443565315} H4 11 1
1 {} {0.126628351937 0.509712453699 0.707637549729} H5 12 1
1 {} {0.343834097226 0.552424644896 0.832966398243} H6 13 1
1 {} {0.354402525218 0.788337476923 0.39033229868} H7 14 1
1 {} {0.551611039015 0.690849991978 0.285246567126} H8 15 1
1 {} {0.587845916489 0.678839493173 0.528997865735} H10 16 1
8 {} {0.328968098052 0.63484480865 0.573193329673} O 17 1
1 {} {0.324762349026 0.75668438311 0.533399289409} 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