./iterations/neb0_image01_iter60.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467784738418 0.240407947785 0.472387423454} O1 1 1
14 {} {0.328416355115 0.248907896445 0.559104000094} Si1 2 1
14 {} {0.598434914106 0.331290824738 0.430870876479} Si2 3 1
8 {} {0.551633646156 0.475182840517 0.36824192302} O2 4 1
8 {} {0.333201290056 0.379694516308 0.658352874018} O3 5 1
14 {} {0.264840991483 0.515101633517 0.722658245309} Si3 6 1
14 {} {0.529640937251 0.637979099263 0.374297760249} Si4 7 1
1 {} {0.319331696596 0.125340242418 0.641682887783} H1 8 1
1 {} {0.213170176033 0.260197696791 0.465122812902} H2 9 1
1 {} {0.671147676239 0.256638519828 0.325253593357} H3 10 1
1 {} {0.682748466689 0.355666681969 0.551462072265} H4 11 1
1 {} {0.120094665796 0.49091650804 0.745915092876} H5 12 1
1 {} {0.34114307392 0.544684246065 0.846998512875} H6 13 1
1 {} {0.38754510649 0.670271201846 0.345635135642} H7 14 1
1 {} {0.618489935434 0.702897070606 0.273739177129} H8 15 1
1 {} {0.565771879666 0.690666008256 0.510235161371} H10 16 1
8 {} {0.26970204543 0.644022441043 0.619393182025} O 17 1
1 {} {0.346988553174 0.702652577694 0.619707259019} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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