./iterations/neb0_image03_iter262.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457508433642 0.267357983521 0.487539703323} O1 1 1
14 {} {0.324285875942 0.240417371236 0.578802526005} Si1 2 1
14 {} {0.586598734561 0.349817192242 0.429796993692} Si2 3 1
8 {} {0.538370857268 0.49395271154 0.369073731205} O2 4 1
8 {} {0.303679421385 0.355377539274 0.693596337512} O3 5 1
14 {} {0.253081034264 0.506096716225 0.737249644461} Si3 6 1
14 {} {0.564566834823 0.656551019973 0.364128227588} Si4 7 1
1 {} {0.341564909148 0.110637662795 0.649450930745} H1 8 1
1 {} {0.205246097574 0.238655976743 0.48838256659} H2 9 1
1 {} {0.644437635467 0.269043040916 0.319911880646} H3 10 1
1 {} {0.682524236138 0.372890291053 0.540789824291} H4 11 1
1 {} {0.104063318187 0.503628779443 0.745353987182} H5 12 1
1 {} {0.317203066438 0.53998657491 0.866504825339} H6 13 1
1 {} {0.434043747432 0.722074594859 0.337347624001} H7 14 1
1 {} {0.660027620084 0.688290500909 0.253639099591} H8 15 1
1 {} {0.622889659671 0.705187623085 0.49216690986} H10 16 1
8 {} {0.306799251375 0.621505597124 0.632100982169} O 17 1
1 {} {0.263195413378 0.631046880553 0.545221810583} 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