./iterations/neb0_image08_iter295.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474014433541 0.212147669067 0.494240666725} O1 1 1
14 {} {0.334610965031 0.214236875126 0.580211667706} Si1 2 1
14 {} {0.611072046194 0.293811427798 0.453101362957} Si2 3 1
8 {} {0.579402469402 0.452636838701 0.430946242222} O2 4 1
8 {} {0.319470907946 0.355552366254 0.662410670637} O3 5 1
14 {} {0.29603774372 0.517809282014 0.65709168985} Si3 6 1
14 {} {0.504178578506 0.597902358457 0.442389863238} Si4 7 1
1 {} {0.336411364593 0.104412539589 0.680307163647} H1 8 1
1 {} {0.222504280496 0.199497724112 0.483516932263} H2 9 1
1 {} {0.662882983293 0.23832716568 0.324776874739} H3 10 1
1 {} {0.709657390631 0.279062220065 0.56429909622} H4 11 1
1 {} {0.150533300026 0.547015151545 0.659230735548} H5 12 1
1 {} {0.367082438501 0.577623638182 0.773461858343} H6 13 1
1 {} {0.319510242874 0.910869620939 0.468235005036} H7 14 1
1 {} {0.47781623829 0.64932675806 0.305793253956} H8 15 1
1 {} {0.59085374118 0.688954120675 0.5224880745} H10 16 1
8 {} {0.358392628075 0.579634106934 0.517632317225} O 17 1
1 {} {0.295654391342 0.853697927853 0.510924316602} 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