./iterations/neb0_image03_iter52.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 {} {0.46817804195 0.230039317618 0.479685525654} O1 1 1
14 {} {0.3300684181 0.239128056706 0.568749217099} Si1 2 1
14 {} {0.590886684348 0.331227521141 0.434701899517} Si2 3 1
8 {} {0.531374469134 0.475880577343 0.385964641942} O2 4 1
8 {} {0.332015258234 0.373591693015 0.66310579753} O3 5 1
14 {} {0.2728247929 0.519437140095 0.707333179229} Si3 6 1
14 {} {0.527078801957 0.641185491118 0.390332377959} Si4 7 1
1 {} {0.328470021359 0.120908506382 0.658955719164} H1 8 1
1 {} {0.212890697614 0.240274109674 0.476288431531} H2 9 1
1 {} {0.659613474682 0.263817074022 0.320602759499} H3 10 1
1 {} {0.685620150196 0.349624188451 0.550019103787} H4 11 1
1 {} {0.124674779088 0.515088876019 0.719885907171} H5 12 1
1 {} {0.338997873956 0.560237863431 0.833606484079} H6 13 1
1 {} {0.389321574113 0.693743525214 0.376376748017} H7 14 1
1 {} {0.603114797086 0.691592573829 0.272800264121} H8 15 1
1 {} {0.58840793848 0.689900815633 0.517180831678} H10 16 1
8 {} {0.314738201422 0.620220509426 0.584412058902} O 17 1
1 {} {0.311810136828 0.716620126429 0.591057041617} 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