./iterations/neb0_image08_iter172.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471034268209 0.228400068759 0.49293046781} O1 1 1
14 {} {0.330171799603 0.220595938143 0.576625552032} Si1 2 1
14 {} {0.612080879283 0.300461600832 0.449998584615} Si2 3 1
8 {} {0.58805044899 0.458300073875 0.410790258578} O2 4 1
8 {} {0.314418739404 0.347765433266 0.680841893774} O3 5 1
14 {} {0.300871990469 0.511820658799 0.672862988222} Si3 6 1
14 {} {0.511840971313 0.598707032324 0.450317337813} Si4 7 1
1 {} {0.330070326149 0.0966056370529 0.658456651586} H1 8 1
1 {} {0.218314893722 0.22254174367 0.478136814796} H2 9 1
1 {} {0.663034682803 0.231264490635 0.329286041828} H3 10 1
1 {} {0.707918446054 0.290989689764 0.564000050898} H4 11 1
1 {} {0.15728389276 0.548913377885 0.66101819503} H5 12 1
1 {} {0.363689487157 0.567906720155 0.795586965688} H6 13 1
1 {} {0.316708271528 0.894427632159 0.465405859216} H7 14 1
1 {} {0.468054434974 0.666808349453 0.325219166082} H8 15 1
1 {} {0.606770505721 0.683510453738 0.528083852295} H10 16 1
8 {} {0.377098304509 0.569323344568 0.539079309586} O 17 1
1 {} {0.27267391334 0.834175629969 0.452417802359} 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