./iterations/neb0_image06_iter204.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474876939686 0.22578789026 0.48569555276} O1 1 1
14 {} {0.331117409699 0.217113168442 0.56605018352} Si1 2 1
14 {} {0.608180753556 0.317906971076 0.457697518668} Si2 3 1
8 {} {0.571494810031 0.476397952602 0.466436601188} O2 4 1
8 {} {0.302439030517 0.353352510393 0.652663805393} O3 5 1
14 {} {0.285700539508 0.516222029119 0.653770017307} Si3 6 1
14 {} {0.486076770588 0.613731630427 0.447253600948} Si4 7 1
1 {} {0.335607382657 0.103868475755 0.663073510543} H1 8 1
1 {} {0.224052468763 0.200793227257 0.463774022714} H2 9 1
1 {} {0.655571926319 0.289561690938 0.319311672877} H3 10 1
1 {} {0.712318121822 0.294479880501 0.562633070574} H4 11 1
1 {} {0.145149490483 0.546817809927 0.693977924677} H5 12 1
1 {} {0.380425234573 0.578553141297 0.749406844774} H6 13 1
1 {} {0.389531696276 0.810593316445 0.528331829932} H7 14 1
1 {} {0.469024731723 0.656683122249 0.305972238118} H8 15 1
1 {} {0.585283444781 0.710587370042 0.505687241775} H10 16 1
8 {} {0.330564565644 0.576696190207 0.506021643025} O 17 1
1 {} {0.322670618088 0.7833715031 0.503300809643} 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