./iterations/neb0_image09_iter278.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 {} {0.472829157471 0.211136406036 0.494927673348} O1 1 1
14 {} {0.333400674193 0.214509132534 0.582121654684} Si1 2 1
14 {} {0.606823666484 0.293281154763 0.447325806388} Si2 3 1
8 {} {0.571244292134 0.449705215433 0.410876201074} O2 4 1
8 {} {0.322603126765 0.351517259224 0.672184492973} O3 5 1
14 {} {0.300405423976 0.514653750809 0.670498988245} Si3 6 1
14 {} {0.512406809911 0.596913780432 0.452325493049} Si4 7 1
1 {} {0.334055925948 0.0994559123356 0.676019264174} H1 8 1
1 {} {0.218989800124 0.208658464849 0.486594709753} H2 9 1
1 {} {0.658252073439 0.229203206545 0.324032441475} H3 10 1
1 {} {0.70713668383 0.289938722024 0.557307635138} H4 11 1
1 {} {0.155594277622 0.545798921346 0.660184934008} H5 12 1
1 {} {0.360723073071 0.567877501471 0.795307090606} H6 13 1
1 {} {0.312970332985 0.919027037506 0.437702513918} H7 14 1
1 {} {0.478272834183 0.670105258829 0.328267382724} H8 15 1
1 {} {0.614975617097 0.66876253458 0.533053311986} H10 16 1
8 {} {0.373767391513 0.582558210264 0.539686945262} O 17 1
1 {} {0.275635044992 0.859415422521 0.462641113432} 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