./iterations/neb0_image02_iter207.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 {} {0.461335391695 0.258564551059 0.49147741274} O1 1 1
14 {} {0.327779893292 0.239494731667 0.58451454274} Si1 2 1
14 {} {0.584094248317 0.346713735577 0.429325849215} Si2 3 1
8 {} {0.528952238332 0.488920191204 0.368080023238} O2 4 1
8 {} {0.315629135562 0.358507692149 0.696906833713} O3 5 1
14 {} {0.247487926456 0.505079724295 0.729056669409} Si3 6 1
14 {} {0.556711753988 0.650905277885 0.358976730164} Si4 7 1
1 {} {0.341269618353 0.109726919535 0.656089151766} H1 8 1
1 {} {0.208369015229 0.241058008487 0.49543598104} H2 9 1
1 {} {0.643219120582 0.268285297361 0.318521027886} H3 10 1
1 {} {0.683402661787 0.376736554457 0.53599432045} H4 11 1
1 {} {0.100728889126 0.489509031809 0.744306785111} H5 12 1
1 {} {0.314003874291 0.554656427853 0.852359511701} H6 13 1
1 {} {0.431402935643 0.717647240485 0.313585261396} H7 14 1
1 {} {0.667196504397 0.680454856339 0.262639146728} H8 15 1
1 {} {0.593338783942 0.704903350328 0.494310305213} H10 16 1
8 {} {0.265103946537 0.611117622038 0.602749190648} O 17 1
1 {} {0.340060232508 0.670236774157 0.5967293397} 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