iterations/neb0_image06_iter8.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469969312719 0.22733622136 0.485520828538} O1 1 1
14 {} {0.332061510084 0.226529520905 0.573409722062} Si1 2 1
14 {} {0.603595497402 0.307059947517 0.440638776372} Si2 3 1
8 {} {0.562156549761 0.459086996083 0.383910300154} O2 4 1
8 {} {0.330960872773 0.36183477418 0.67110675188} O3 5 1
14 {} {0.28151051133 0.517409143966 0.695072599695} Si3 6 1
14 {} {0.510093345039 0.611389353827 0.426084908252} Si4 7 1
1 {} {0.332681348864 0.113403146083 0.666419404051} H1 8 1
1 {} {0.216148500999 0.229745921191 0.482583988808} H2 9 1
1 {} {0.665568177685 0.235424072775 0.327016184609} H3 10 1
1 {} {0.696561280486 0.324235093029 0.555198777686} H4 11 1
1 {} {0.130145942834 0.513231346821 0.699432297978} H5 12 1
1 {} {0.344354483637 0.555307730608 0.826772788089} H6 13 1
1 {} {0.344539533193 0.810335867991 0.395588065372} H7 14 1
1 {} {0.539695689836 0.690494276215 0.291478767213} H8 15 1
1 {} {0.591185041332 0.677129929611 0.527045669907} H10 16 1
8 {} {0.336227736374 0.618827936009 0.566386217636} O 17 1
1 {} {0.322630809202 0.793736683636 0.517391953715} 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