iterations/neb0_image09_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472644579869 0.21070568765 0.494976415522} O1 1 1
14 {} {0.333374401007 0.214201390283 0.582047222519} Si1 2 1
14 {} {0.606743835052 0.292972215649 0.447519839409} Si2 3 1
8 {} {0.571604695988 0.449146665748 0.411711988531} O2 4 1
8 {} {0.322567315472 0.351874911854 0.671506170735} O3 5 1
14 {} {0.300475639809 0.514837875382 0.669977754737} Si3 6 1
14 {} {0.512474058778 0.59687765393 0.452534756501} Si4 7 1
1 {} {0.334071328005 0.100083253902 0.676660616857} H1 8 1
1 {} {0.219038831434 0.208299767654 0.486935616906} H2 9 1
1 {} {0.658066629748 0.229156849497 0.323852398547} H3 10 1
1 {} {0.707357177271 0.289827399098 0.557327835491} H4 11 1
1 {} {0.155316231307 0.545980427183 0.660458992162} H5 12 1
1 {} {0.360943359759 0.568372057468 0.794892154196} H6 13 1
1 {} {0.312980996424 0.919767959254 0.438115278402} H7 14 1
1 {} {0.479159352051 0.669317959363 0.327474443325} H8 15 1
1 {} {0.614760604978 0.669296782127 0.533112055668} H10 16 1
8 {} {0.373480575498 0.582783107489 0.539605444455} O 17 1
1 {} {0.275026600538 0.859015923831 0.462348665844} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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