./iterations/neb0_image08_iter171.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 {} {0.471000697509 0.228497616449 0.492892117386} O1 1 1
14 {} {0.33024746905 0.220552662161 0.57662296383} Si1 2 1
14 {} {0.612042440797 0.300557476584 0.449993778926} Si2 3 1
8 {} {0.587824078387 0.458327731372 0.410725071838} O2 4 1
8 {} {0.314579560879 0.347824236169 0.680769333919} O3 5 1
14 {} {0.300863907778 0.511887541153 0.672954001417} Si3 6 1
14 {} {0.511853921591 0.598957173341 0.450230467219} Si4 7 1
1 {} {0.330020178657 0.0965513985848 0.658464192857} H1 8 1
1 {} {0.218296550995 0.222581736195 0.478178040247} H2 9 1
1 {} {0.662993661955 0.231096322686 0.32932846136} H3 10 1
1 {} {0.7079549982 0.291039204675 0.564031793291} H4 11 1
1 {} {0.157236625364 0.548847568169 0.660912515514} H5 12 1
1 {} {0.363734593548 0.567968899699 0.795717655856} H6 13 1
1 {} {0.3169927884 0.894106605947 0.465324985977} H7 14 1
1 {} {0.467797368249 0.667098560943 0.325372232093} H8 15 1
1 {} {0.606836273767 0.683449469755 0.528216698292} H10 16 1
8 {} {0.377052548055 0.569390146017 0.539045770803} O 17 1
1 {} {0.272758593001 0.833783525325 0.452277711533} 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