iterations/neb0_image09_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_image09

@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 {} {0.472365410137 0.210385842349 0.495405456194} O1 1 1
14 {} {0.333463284803 0.214210612751 0.582448091526} Si1 2 1
14 {} {0.606899041476 0.292488595101 0.447817947998} Si2 3 1
8 {} {0.571347760362 0.448803064095 0.413607094258} O2 4 1
8 {} {0.322857694598 0.35301649008 0.670113379669} O3 5 1
14 {} {0.300399931713 0.515375570248 0.669343459414} Si3 6 1
14 {} {0.512465384938 0.596903333175 0.452275260227} Si4 7 1
1 {} {0.334008760899 0.100867792579 0.678162706524} H1 8 1
1 {} {0.219307185956 0.207012054806 0.487513277557} H2 9 1
1 {} {0.657800337695 0.229158222864 0.323642585839} H3 10 1
1 {} {0.707526493192 0.288540765116 0.557717142801} H4 11 1
1 {} {0.155155943056 0.546338931019 0.660445038863} H5 12 1
1 {} {0.36140780881 0.569439134669 0.79385318316} H6 13 1
1 {} {0.312790823661 0.919689171255 0.438834144804} H7 14 1
1 {} {0.480348036203 0.668169398427 0.325994819738} H8 15 1
1 {} {0.614023290728 0.669830902601 0.5334827772} H10 16 1
8 {} {0.373108133233 0.583811392633 0.538454269228} O 17 1
1 {} {0.274810916032 0.858476597884 0.461947014293} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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