iterations/neb0_image07_iter241.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.476387983819 0.221822553929 0.499656410032} O1 1 1
14 {} {0.336089322442 0.213327006253 0.583983612096} Si1 2 1
14 {} {0.615680225894 0.296068672471 0.45493651401} Si2 3 1
8 {} {0.591830527575 0.456152368845 0.428729182049} O2 4 1
8 {} {0.311656135975 0.350912600412 0.67081462432} O3 5 1
14 {} {0.291047666874 0.512039771846 0.646216880432} Si3 6 1
14 {} {0.497280474519 0.589828519196 0.430040732989} Si4 7 1
1 {} {0.342553312968 0.100651129139 0.680081412671} H1 8 1
1 {} {0.225020768163 0.194749282469 0.485920630829} H2 9 1
1 {} {0.659812076173 0.233053099591 0.328123981613} H3 10 1
1 {} {0.717585309999 0.283120285679 0.562390206467} H4 11 1
1 {} {0.147268272071 0.547119669145 0.645376255902} H5 12 1
1 {} {0.365579484838 0.579830261513 0.755468890466} H6 13 1
1 {} {0.339454430785 0.931449077235 0.506119405267} H7 14 1
1 {} {0.469787873614 0.633677331719 0.291248446103} H8 15 1
1 {} {0.563642505197 0.695066305263 0.512316534621} H10 16 1
8 {} {0.34938533392 0.555373700507 0.500322985318} O 17 1
1 {} {0.310024141022 0.878276187612 0.549311020354} 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