./iterations/neb0_image01_iter191.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464427697647 0.255154982004 0.477245935117} O1 1 1
14 {} {0.327322042717 0.251206702368 0.567118732666} Si1 2 1
14 {} {0.597693535758 0.336410572103 0.426819852473} Si2 3 1
8 {} {0.556566158215 0.476821932793 0.352228369017} O2 4 1
8 {} {0.324669155407 0.375928326514 0.673792961655} O3 5 1
14 {} {0.255786302593 0.513120108416 0.733027368919} Si3 6 1
14 {} {0.537998512216 0.64007365813 0.361955288095} Si4 7 1
1 {} {0.327371089829 0.124149362492 0.644116900796} H1 8 1
1 {} {0.210465547136 0.259375531538 0.475164447937} H2 9 1
1 {} {0.666453236573 0.250137900006 0.327640821618} H3 10 1
1 {} {0.684088196338 0.367261261483 0.544323949456} H4 11 1
1 {} {0.109540430235 0.494237925429 0.750950223326} H5 12 1
1 {} {0.325700240634 0.541172894508 0.861458935861} H6 13 1
1 {} {0.401231822232 0.678031274217 0.31714902605} H7 14 1
1 {} {0.639825726413 0.707301756515 0.276436911479} H8 15 1
1 {} {0.556309833558 0.685005420901 0.50414365653} H10 16 1
8 {} {0.268392853437 0.639710216921 0.627669139352} O 17 1
1 {} {0.356243542014 0.677418011953 0.609815373683} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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