./iterations/neb0_image02_iter230.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 {} {0.459751521906 0.261093002956 0.491192354058} O1 1 1
14 {} {0.327058845331 0.239216739046 0.585265745113} Si1 2 1
14 {} {0.583477356474 0.347903022218 0.428765342163} Si2 3 1
8 {} {0.529623623151 0.490412354312 0.36716665176} O2 4 1
8 {} {0.313938594097 0.357024110717 0.699059814679} O3 5 1
14 {} {0.246027787162 0.504148607216 0.73020257871} Si3 6 1
14 {} {0.558864392005 0.652294784651 0.357774603605} Si4 7 1
1 {} {0.342933762472 0.109146166911 0.655990862153} H1 8 1
1 {} {0.20737651618 0.240719883206 0.496320333436} H2 9 1
1 {} {0.642499784795 0.268461396652 0.318055816621} H3 10 1
1 {} {0.683295181738 0.377742000596 0.535562849983} H4 11 1
1 {} {0.0992184801128 0.488443707159 0.745769442985} H5 12 1
1 {} {0.312574800865 0.554072218102 0.853654101639} H6 13 1
1 {} {0.434363144961 0.719112184383 0.312028686607} H7 14 1
1 {} {0.670171753535 0.680589243351 0.262269826519} H8 15 1
1 {} {0.595857566494 0.706293887125 0.492667875915} H10 16 1
8 {} {0.262639266469 0.609156372765 0.603803266027} O 17 1
1 {} {0.340413842241 0.666688363905 0.595507870512} 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