./iterations/neb0_image01_iter21.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.468105647479 0.24266844471 0.471459341143} O1 1 1
14 {} {0.327832814467 0.249934712929 0.557332387176} Si1 2 1
14 {} {0.600954562474 0.330871061956 0.431210010608} Si2 3 1
8 {} {0.556523495656 0.47596442956 0.366844897025} O2 4 1
8 {} {0.332365743685 0.379275360101 0.659055994986} O3 5 1
14 {} {0.267411725765 0.514413820236 0.726016187708} Si3 6 1
14 {} {0.528829736985 0.638331254966 0.371966962263} Si4 7 1
1 {} {0.31724472406 0.125521336752 0.638799035562} H1 8 1
1 {} {0.213698018644 0.262782872107 0.461994925125} H2 9 1
1 {} {0.674414371376 0.249637783564 0.329920068744} H3 10 1
1 {} {0.684940591734 0.350025560891 0.553820770689} H4 11 1
1 {} {0.122261072892 0.489779318571 0.746638723028} H5 12 1
1 {} {0.341822279756 0.533228149954 0.855153534876} H6 13 1
1 {} {0.387495163124 0.681268667799 0.339377088325} H7 14 1
1 {} {0.613635395244 0.704509190673 0.270794741204} H8 15 1
1 {} {0.559461039681 0.688528749848 0.508686197465} H10 16 1
8 {} {0.270046958401 0.644010558753 0.626226763813} O 17 1
1 {} {0.343042792076 0.71176667574 0.615760360591} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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