./iterations/neb0_image05_iter268.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 {} {0.470520329556 0.265031513077 0.490163523184} O1 1 1
14 {} {0.323922370675 0.233083344678 0.557921531359} Si1 2 1
14 {} {0.611211360921 0.346497778493 0.472953000903} Si2 3 1
8 {} {0.598184427752 0.502920696175 0.523078405542} O2 4 1
8 {} {0.253428164102 0.365708087487 0.622210665622} O3 5 1
14 {} {0.23521782735 0.525586079588 0.6556485518} Si3 6 1
14 {} {0.577012747428 0.655975882149 0.460876289271} Si4 7 1
1 {} {0.340730410163 0.135572437207 0.668749687522} H1 8 1
1 {} {0.2413398721 0.179283778798 0.446826234822} H2 9 1
1 {} {0.647639873928 0.343844479377 0.328197041257} H3 10 1
1 {} {0.715360812695 0.282561376201 0.557630404756} H4 11 1
1 {} {0.133601461872 0.540540220354 0.760890325013} H5 12 1
1 {} {0.365734573703 0.582068744262 0.70244433048} H6 13 1
1 {} {0.531288872271 0.753319935453 0.563996378156} H7 14 1
1 {} {0.475016550295 0.648357618383 0.351514279415} H8 15 1
1 {} {0.706799892771 0.705555688857 0.405773140375} H10 16 1
8 {} {0.170084658175 0.602356140469 0.524606706307} O 17 1
1 {} {0.212991850779 0.604254322956 0.437577703455} 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