./iterations/neb0_image02_iter48.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 {} {0.467648264368 0.236651315444 0.475277110762} O1 1 1
14 {} {0.329255274649 0.244990631461 0.562834108779} Si1 2 1
14 {} {0.595429100505 0.330653712436 0.432262147152} Si2 3 1
8 {} {0.544024370215 0.474795333323 0.374203599578} O2 4 1
8 {} {0.3344435837 0.37676481955 0.659938474753} O3 5 1
14 {} {0.267861328933 0.517066103729 0.715486203772} Si3 6 1
14 {} {0.529652830187 0.638848308601 0.380062363357} Si4 7 1
1 {} {0.322758494129 0.123140676531 0.647306060145} H1 8 1
1 {} {0.213654538088 0.252776504782 0.469520148366} H2 9 1
1 {} {0.667238031012 0.258563715279 0.324208966605} H3 10 1
1 {} {0.683950285526 0.352840150372 0.550554587234} H4 11 1
1 {} {0.121960378198 0.498823707876 0.737301202922} H5 12 1
1 {} {0.340867947535 0.551640857998 0.840443072644} H6 13 1
1 {} {0.386457567919 0.676851681108 0.358338036646} H7 14 1
1 {} {0.613049766845 0.699696707304 0.272830595729} H8 15 1
1 {} {0.572876934103 0.689754503545 0.513729794816} H10 16 1
8 {} {0.281738433313 0.636020659073 0.601652831573} O 17 1
1 {} {0.337219019766 0.712638565948 0.615108682521} 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