./iterations/neb0_image03_iter289.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 {} {0.458659281388 0.260266289094 0.480540877903} O1 1 1
14 {} {0.325166622163 0.241502563484 0.5743969653} Si1 2 1
14 {} {0.590622986243 0.343994331954 0.431961977334} Si2 3 1
8 {} {0.546373656301 0.490892061799 0.374264990592} O2 4 1
8 {} {0.306227254311 0.365166055037 0.679215224957} O3 5 1
14 {} {0.2508885455 0.511655800432 0.73016683476} Si3 6 1
14 {} {0.564316163699 0.655197177528 0.37384628959} Si4 7 1
1 {} {0.341324544504 0.115309723124 0.652398898806} H1 8 1
1 {} {0.207796805572 0.234806143614 0.481346747519} H2 9 1
1 {} {0.653536217507 0.268086167354 0.321022935093} H3 10 1
1 {} {0.684819848597 0.360600966485 0.547260543771} H4 11 1
1 {} {0.103765308631 0.499248000957 0.751145926144} H5 12 1
1 {} {0.321117591332 0.549317915933 0.855270165314} H6 13 1
1 {} {0.426883461138 0.716576550174 0.370356821335} H7 14 1
1 {} {0.638536461589 0.697243291296 0.251424036047} H8 15 1
1 {} {0.635102454458 0.698785031728 0.497867506963} H10 16 1
8 {} {0.290341329811 0.632974628686 0.625589702332} O 17 1
1 {} {0.264607521928 0.630895286236 0.532981144049} 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