./iterations/neb0_image02_iter259.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.458083182435 0.264749421589 0.489606815072} O1 1 1
14 {} {0.326703455763 0.240239433098 0.584193247765} Si1 2 1
14 {} {0.583830814491 0.349032272376 0.428001793733} Si2 3 1
8 {} {0.532166031012 0.492018277342 0.366087464083} O2 4 1
8 {} {0.311711251931 0.356410028212 0.699168189129} O3 5 1
14 {} {0.243952515992 0.502857217954 0.732028656343} Si3 6 1
14 {} {0.561569883928 0.653947424958 0.357158963363} Si4 7 1
1 {} {0.344583357191 0.110359767309 0.653810342714} H1 8 1
1 {} {0.206013783346 0.239510675726 0.497533991675} H2 9 1
1 {} {0.642088274673 0.268334702735 0.31804084455} H3 10 1
1 {} {0.682187390528 0.376896091118 0.536267932739} H4 11 1
1 {} {0.09783984044 0.486584200198 0.748510219899} H5 12 1
1 {} {0.311506849831 0.553945906518 0.85431042267} H6 13 1
1 {} {0.435863838145 0.720128014879 0.311563240935} H7 14 1
1 {} {0.672632435472 0.681612583409 0.261784636398} H8 15 1
1 {} {0.600405903846 0.707711842072 0.491422770911} H10 16 1
8 {} {0.258293425077 0.608932809836 0.606576457477} O 17 1
1 {} {0.340654079901 0.659247458706 0.594991913379} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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