./iterations/neb0_image05_iter70.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46858380779 0.222637763756 0.484280930573} O1 1 1
14 {} {0.330965106194 0.227068519803 0.573983471011} Si1 2 1
14 {} {0.589295495834 0.327536647695 0.443188943141} Si2 3 1
8 {} {0.52678118181 0.476513642029 0.415524495301} O2 4 1
8 {} {0.329286833408 0.35998609038 0.673215996316} O3 5 1
14 {} {0.288598052775 0.516799669092 0.685682450607} Si3 6 1
14 {} {0.503429850409 0.642466118478 0.430303398339} Si4 7 1
1 {} {0.328454188332 0.109680850426 0.663275015509} H1 8 1
1 {} {0.2149759771 0.232838102519 0.482139696029} H2 9 1
1 {} {0.653760248242 0.274949544697 0.318723435111} H3 10 1
1 {} {0.687752446057 0.339958478837 0.555916892284} H4 11 1
1 {} {0.143073466433 0.538861643247 0.680255088536} H5 12 1
1 {} {0.348378791283 0.57092708273 0.809176246091} H6 13 1
1 {} {0.392878715083 0.765175179869 0.427986242976} H7 14 1
1 {} {0.532852273447 0.678690187185 0.2879331047} H8 15 1
1 {} {0.599600077914 0.696494151204 0.533063272843} H10 16 1
8 {} {0.346206834923 0.599328653103 0.551577127399} O 17 1
1 {} {0.325212756307 0.692605624794 0.514832175418} 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