./iterations/neb0_image05_iter100.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.47071052374 0.226310575974 0.490356476375} O1 1 1
14 {} {0.331591570301 0.223375509824 0.574923633313} Si1 2 1
14 {} {0.590810248228 0.332558755853 0.447306714915} Si2 3 1
8 {} {0.531504153608 0.481756750178 0.42089045696} O2 4 1
8 {} {0.325868686954 0.35648231378 0.673581294723} O3 5 1
14 {} {0.287562610983 0.513874880356 0.680842557062} Si3 6 1
14 {} {0.502931508265 0.649746684169 0.428083524361} Si4 7 1
1 {} {0.327007168022 0.101836506985 0.659579079759} H1 8 1
1 {} {0.214841146391 0.229964034825 0.483702843808} H2 9 1
1 {} {0.649335343826 0.279371644294 0.321185847781} H3 10 1
1 {} {0.690675732912 0.330223122078 0.558782605551} H4 11 1
1 {} {0.141417919663 0.539306456742 0.675587713947} H5 12 1
1 {} {0.358240676862 0.575126330907 0.79595254978} H6 13 1
1 {} {0.406750050086 0.775336180658 0.435512026964} H7 14 1
1 {} {0.528555819818 0.674987538047 0.284504665892} H8 15 1
1 {} {0.601357207101 0.697317316404 0.529058125331} H10 16 1
8 {} {0.339125399776 0.59505249908 0.541578009462} O 17 1
1 {} {0.311800325477 0.689890829646 0.529629873153} 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