./iterations/neb0_image05_iter135.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 {} {0.471443714457 0.228534864175 0.4861831041} O1 1 1
14 {} {0.330437960777 0.223794416341 0.570131486409} Si1 2 1
14 {} {0.593262684976 0.334073698348 0.450428097141} Si2 3 1
8 {} {0.536346356287 0.486894551789 0.442256354914} O2 4 1
8 {} {0.318271709797 0.359041192482 0.66330164078} O3 5 1
14 {} {0.278983426937 0.516069782775 0.677352260643} Si3 6 1
14 {} {0.516350200146 0.651171094703 0.430227886897} Si4 7 1
1 {} {0.330329486364 0.107169614934 0.661150470293} H1 8 1
1 {} {0.216995947039 0.220434515742 0.476107074004} H2 9 1
1 {} {0.651155927847 0.2835367139 0.322154349395} H3 10 1
1 {} {0.696829653739 0.327690109588 0.557395727436} H4 11 1
1 {} {0.133360208599 0.532920645623 0.70043001838} H5 12 1
1 {} {0.364387908779 0.581691615203 0.780887594226} H6 13 1
1 {} {0.42282262501 0.77301031512 0.45780943185} H7 14 1
1 {} {0.521933434173 0.668897953693 0.283187346682} H8 15 1
1 {} {0.626495941493 0.698107173046 0.517363663848} H10 16 1
8 {} {0.309260431635 0.59156138541 0.53101661621} O 17 1
1 {} {0.291418434106 0.687918274641 0.523674897883} 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