iterations/neb0_image07_iter291.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481328774076 0.202083107901 0.50284316675} O1 1 1
14 {} {0.339948054345 0.210262067147 0.585916608103} Si1 2 1
14 {} {0.60937826857 0.294108520386 0.455956751184} Si2 3 1
8 {} {0.565910601412 0.449425592186 0.436322643952} O2 4 1
8 {} {0.319455595258 0.360323364364 0.650080937373} O3 5 1
14 {} {0.288969949524 0.520137847378 0.64856964567} Si3 6 1
14 {} {0.496664601844 0.596968954603 0.433985015534} Si4 7 1
1 {} {0.341076160601 0.114003383404 0.698952064233} H1 8 1
1 {} {0.232045400672 0.181288584516 0.489186186982} H2 9 1
1 {} {0.660058313031 0.245045893648 0.324247633827} H3 10 1
1 {} {0.714068538291 0.286021855495 0.56254714843} H4 11 1
1 {} {0.142062027034 0.542075208963 0.653135398869} H5 12 1
1 {} {0.354423677922 0.58223339955 0.766754168846} H6 13 1
1 {} {0.341588561051 0.903393228246 0.480221220073} H7 14 1
1 {} {0.471402111813 0.6364144759 0.293167182671} H8 15 1
1 {} {0.591217427722 0.691106434592 0.499160034479} H10 16 1
8 {} {0.352449189482 0.590133230857 0.513162912598} O 17 1
1 {} {0.308038491625 0.867492787388 0.536849010124} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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