iterations/neb0_image09_iter84.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 {} {0.472369395448 0.213483202424 0.49492517415} O1 1 1
14 {} {0.335883598626 0.216439638896 0.586384231331} Si1 2 1
14 {} {0.603134359381 0.299415468318 0.444966192466} Si2 3 1
8 {} {0.560087135542 0.451989295668 0.40124614005} O2 4 1
8 {} {0.328341612432 0.354505473593 0.675884698548} O3 5 1
14 {} {0.29674737484 0.516029107725 0.669469983845} Si3 6 1
14 {} {0.506893238278 0.599292431061 0.451000889628} Si4 7 1
1 {} {0.339708358637 0.101918388755 0.680910382225} H1 8 1
1 {} {0.21829624908 0.209390080747 0.495044446143} H2 9 1
1 {} {0.659121691616 0.232555821588 0.324988592624} H3 10 1
1 {} {0.701773048934 0.305592854699 0.556642326274} H4 11 1
1 {} {0.150344238765 0.538016802959 0.656076189159} H5 12 1
1 {} {0.351314503109 0.575821224193 0.794140370977} H6 13 1
1 {} {0.32337353621 0.878758802254 0.414084723128} H7 14 1
1 {} {0.475790084101 0.678926858876 0.329695504203} H8 15 1
1 {} {0.611618884264 0.663634806195 0.535523512782} H10 16 1
8 {} {0.368557790743 0.584635706039 0.538325441767} O 17 1
1 {} {0.306731067464 0.852111979642 0.481749172164} 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