./iterations/neb0_image03_iter292.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 {} {0.45828776602 0.260551302931 0.480642074605} O1 1 1
14 {} {0.325374488315 0.240946349405 0.574046173561} Si1 2 1
14 {} {0.590718437302 0.344087052479 0.431824435936} Si2 3 1
8 {} {0.546556676741 0.491202782864 0.374484186195} O2 4 1
8 {} {0.306108554929 0.365054807057 0.679911595272} O3 5 1
14 {} {0.251089918329 0.51126451859 0.730130587133} Si3 6 1
14 {} {0.564476433845 0.655007256804 0.374205861099} Si4 7 1
1 {} {0.341370263107 0.114998958219 0.652391648228} H1 8 1
1 {} {0.207903584405 0.234704470326 0.481356235205} H2 9 1
1 {} {0.653533741479 0.267832626493 0.321487228462} H3 10 1
1 {} {0.684702012723 0.360838765685 0.546625140281} H4 11 1
1 {} {0.103667062048 0.499869054631 0.750546396571} H5 12 1
1 {} {0.321235485129 0.549140923572 0.8554699355} H6 13 1
1 {} {0.427590929216 0.716847550473 0.370965898662} H7 14 1
1 {} {0.638544693493 0.697065676816 0.251571071647} H8 15 1
1 {} {0.63582966659 0.699498688843 0.497564690569} H10 16 1
8 {} {0.290408547289 0.632884616576 0.625645199386} O 17 1
1 {} {0.262687794573 0.630722582736 0.532189227117} 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