./iterations/neb0_image09_iter142.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 {} {0.472007200721 0.215869202133 0.494392053425} O1 1 1
14 {} {0.334399209264 0.215918140493 0.583746048586} Si1 2 1
14 {} {0.604358850251 0.299417285175 0.444294745641} Si2 3 1
8 {} {0.565249852195 0.452736402546 0.400196739568} O2 4 1
8 {} {0.325655742469 0.35108769786 0.677808099344} O3 5 1
14 {} {0.298400708111 0.51331283162 0.671957199022} Si3 6 1
14 {} {0.509025157397 0.59839015596 0.451767519639} Si4 7 1
1 {} {0.337240697705 0.0978785172974 0.67385193917} H1 8 1
1 {} {0.217754945144 0.212050928601 0.490772465571} H2 9 1
1 {} {0.659264348779 0.22973484193 0.325565442492} H3 10 1
1 {} {0.702907125105 0.305435921515 0.555648876573} H4 11 1
1 {} {0.152925170337 0.540375595294 0.656677943782} H5 12 1
1 {} {0.353952132321 0.571485315192 0.797003787921} H6 13 1
1 {} {0.32148962312 0.893177824871 0.419027496047} H7 14 1
1 {} {0.473391488807 0.677482088884 0.332016254423} H8 15 1
1 {} {0.612931504998 0.664589830723 0.535117954678} H10 16 1
8 {} {0.372562987541 0.580330332564 0.541990933193} O 17 1
1 {} {0.29656939037 0.853245035842 0.479222370202} 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