iterations/neb0_image07_iter63.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 {} {0.470626696732 0.218776783227 0.483873686729} O1 1 1
14 {} {0.332408684023 0.225023019506 0.573530611427} Si1 2 1
14 {} {0.599183896478 0.313182532565 0.443066634563} Si2 3 1
8 {} {0.55001853951 0.46370650099 0.403225084221} O2 4 1
8 {} {0.331769989166 0.355388239323 0.674440673116} O3 5 1
14 {} {0.29816079869 0.516137250002 0.680182816181} Si3 6 1
14 {} {0.501086530235 0.610267009382 0.455754614675} Si4 7 1
1 {} {0.327222247883 0.103682792965 0.659418504355} H1 8 1
1 {} {0.215764024621 0.233747876497 0.479918978184} H2 9 1
1 {} {0.662589278355 0.25412067749 0.323117125292} H3 10 1
1 {} {0.692478725369 0.327615616519 0.558120631385} H4 11 1
1 {} {0.151650104522 0.537944124955 0.672872846388} H5 12 1
1 {} {0.35445463863 0.571274968662 0.805699124113} H6 13 1
1 {} {0.347974262735 0.813805660052 0.419608293345} H7 14 1
1 {} {0.482493902365 0.684318697672 0.328970230289} H8 15 1
1 {} {0.602044753639 0.679518336097 0.540325552503} H10 16 1
8 {} {0.367756417862 0.588018364232 0.550550967371} O 17 1
1 {} {0.322402654159 0.775989514847 0.478381587781} 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