./iterations/neb0_image03_iter160.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459549214674 0.258555390009 0.493345425621} O1 1 1
14 {} {0.324652037903 0.23447589499 0.583063201974} Si1 2 1
14 {} {0.581374693292 0.348878506996 0.432708230868} Si2 3 1
8 {} {0.526261207059 0.491837079587 0.374654226376} O2 4 1
8 {} {0.30966426972 0.350052906514 0.699333077893} O3 5 1
14 {} {0.263174818056 0.504347299972 0.72936938955} Si3 6 1
14 {} {0.556618224267 0.654546071062 0.366090154475} Si4 7 1
1 {} {0.337640098032 0.101871784905 0.648296992991} H1 8 1
1 {} {0.207904551159 0.239685115331 0.492087025518} H2 9 1
1 {} {0.640927885638 0.273406708992 0.319217344399} H3 10 1
1 {} {0.683901684388 0.374352018394 0.538531651732} H4 11 1
1 {} {0.114330881338 0.517545523623 0.725625615019} H5 12 1
1 {} {0.321537649361 0.539233289686 0.861414106936} H6 13 1
1 {} {0.428011445904 0.721513177954 0.328849844242} H7 14 1
1 {} {0.660110826718 0.680496914137 0.259857032212} H8 15 1
1 {} {0.608074743284 0.70944528344 0.495756774467} H10 16 1
8 {} {0.324630152124 0.607252103369 0.612888559193} O 17 1
1 {} {0.261721811486 0.665022981007 0.569969149404} 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