./iterations/neb0_image09_iter218.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472276628435 0.215350640551 0.493745383422} O1 1 1
14 {} {0.333160838818 0.214968654274 0.581754386881} Si1 2 1
14 {} {0.606168209666 0.296651242779 0.445034314954} Si2 3 1
8 {} {0.570023348038 0.451798825854 0.403150107586} O2 4 1
8 {} {0.322574253551 0.349065914106 0.676404623906} O3 5 1
14 {} {0.300104169781 0.512339111498 0.673016521682} Si3 6 1
14 {} {0.51133516817 0.596924454639 0.452792766035} Si4 7 1
1 {} {0.334475903787 0.0966385785375 0.671258819914} H1 8 1
1 {} {0.218710652574 0.211676609888 0.486516881806} H2 9 1
1 {} {0.659185925974 0.228693978694 0.324214197519} H3 10 1
1 {} {0.705549934976 0.298827169636 0.55633901075} H4 11 1
1 {} {0.155119609311 0.542672191246 0.659358541812} H5 12 1
1 {} {0.357598538353 0.567841380366 0.798620021196} H6 13 1
1 {} {0.316821720614 0.912436276319 0.430751157375} H7 14 1
1 {} {0.47427654623 0.673697066229 0.331155601821} H8 15 1
1 {} {0.614949117503 0.66656356603 0.534473944881} H10 16 1
8 {} {0.375703738423 0.578863142892 0.543224485939} O 17 1
1 {} {0.282051804716 0.857509152344 0.469246866625} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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