./iterations/neb0_image02_iter86.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468146904052 0.23721334249 0.477760467083} O1 1 1
14 {} {0.3295772727 0.243329595519 0.565874347741} Si1 2 1
14 {} {0.594390758318 0.331878391971 0.431464194324} Si2 3 1
8 {} {0.540419700738 0.475552920454 0.374844496103} O2 4 1
8 {} {0.330589759017 0.374976740461 0.664148697132} O3 5 1
14 {} {0.2653620219 0.517236836164 0.714774721099} Si3 6 1
14 {} {0.531021445995 0.64001930709 0.378663449112} Si4 7 1
1 {} {0.324310314685 0.121233589197 0.650812637492} H1 8 1
1 {} {0.213541006966 0.249681788292 0.472508564914} H2 9 1
1 {} {0.665325317034 0.260577526042 0.322006497085} H3 10 1
1 {} {0.683008746536 0.354120083396 0.549303095107} H4 11 1
1 {} {0.1202417223 0.49582575318 0.737182406156} H5 12 1
1 {} {0.338460160653 0.558683881253 0.837517181585} H6 13 1
1 {} {0.390479093852 0.681043873511 0.355923122578} H7 14 1
1 {} {0.618190554108 0.697209563615 0.271952506818} H8 15 1
1 {} {0.577523669036 0.690984341121 0.511868061271} H10 16 1
8 {} {0.279681965269 0.634187687503 0.599418124486} O 17 1
1 {} {0.339815695733 0.708762755726 0.615035422706} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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