./iterations/neb0_image06_iter24.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.46957913481 0.226433112449 0.481719268803} O1 1 1
14 {} {0.331364924986 0.233015611246 0.573749932328} Si1 2 1
14 {} {0.599280435571 0.316561397194 0.438682786291} Si2 3 1
8 {} {0.548086422144 0.469848193598 0.391768395467} O2 4 1
8 {} {0.331957474738 0.366249298844 0.667836680283} O3 5 1
14 {} {0.287252375295 0.523603071788 0.687843040825} Si3 6 1
14 {} {0.502555195201 0.620483006475 0.434729701465} Si4 7 1
1 {} {0.330045819756 0.111386370541 0.66107221675} H1 8 1
1 {} {0.215266391288 0.234307989741 0.478431054902} H2 9 1
1 {} {0.666896155896 0.240419374833 0.327103116318} H3 10 1
1 {} {0.694562916335 0.329331024963 0.554601400103} H4 11 1
1 {} {0.136294723027 0.515652804175 0.705065269699} H5 12 1
1 {} {0.340105076116 0.554666179621 0.824348941467} H6 13 1
1 {} {0.348337490397 0.79149766104 0.424559688969} H7 14 1
1 {} {0.532909371387 0.68526796 0.297060154706} H8 15 1
1 {} {0.590546637033 0.680234189082 0.533046499711} H10 16 1
8 {} {0.350785782348 0.612479705491 0.561214557556} O 17 1
1 {} {0.334259818739 0.761081003486 0.488225286564} 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