./iterations/neb0_image05_iter30.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 {} {0.469432036901 0.225757937295 0.483472252083} O1 1 1
14 {} {0.332565719805 0.234534954294 0.573898608189} Si1 2 1
14 {} {0.595208274224 0.322853585864 0.438387978323} Si2 3 1
8 {} {0.537825176971 0.475289160318 0.398967564614} O2 4 1
8 {} {0.332419831116 0.376286771163 0.660531428687} O3 5 1
14 {} {0.282988260812 0.5287697608 0.689386829122} Si3 6 1
14 {} {0.505551038462 0.640531109726 0.420910251142} Si4 7 1
1 {} {0.330800044353 0.113786951548 0.662809758597} H1 8 1
1 {} {0.215926274185 0.2323909717 0.481176975327} H2 9 1
1 {} {0.663990306796 0.244521728645 0.327930193158} H3 10 1
1 {} {0.693319421349 0.329348166158 0.55261143413} H4 11 1
1 {} {0.137334170833 0.520837580758 0.701747847488} H5 12 1
1 {} {0.33919944032 0.559052066363 0.820706595046} H6 13 1
1 {} {0.368018762886 0.772542070225 0.424030896246} H7 14 1
1 {} {0.542710857042 0.684556927752 0.283932461645} H8 15 1
1 {} {0.591383889203 0.679774603259 0.533525274758} H10 16 1
8 {} {0.340939794314 0.623162316792 0.571915470396} O 17 1
1 {} {0.330472832996 0.708521294712 0.505116164579} 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