./iterations/neb0_image03_iter207.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 {} {0.457679822039 0.266134627572 0.491759791523} O1 1 1
14 {} {0.324250073371 0.23755624447 0.582248746741} Si1 2 1
14 {} {0.582986511042 0.351113595619 0.43043503612} Si2 3 1
8 {} {0.532184823879 0.494678045244 0.369255679107} O2 4 1
8 {} {0.30572444049 0.349764179334 0.7007384558} O3 5 1
14 {} {0.258517455665 0.503732390653 0.736146324785} Si3 6 1
14 {} {0.563378166911 0.656196302009 0.361725349777} Si4 7 1
1 {} {0.340272648535 0.105489173448 0.649200603964} H1 8 1
1 {} {0.205709735511 0.239801391339 0.490751653958} H2 9 1
1 {} {0.640339629327 0.270209734447 0.320573327102} H3 10 1
1 {} {0.682897478707 0.376379958123 0.537309887408} H4 11 1
1 {} {0.10880555782 0.51219118349 0.734489385433} H5 12 1
1 {} {0.316992316531 0.535751480979 0.868876682124} H6 13 1
1 {} {0.436181000273 0.725279248664 0.324876573125} H7 14 1
1 {} {0.664375536382 0.682778903261 0.25570708452} H8 15 1
1 {} {0.612704168715 0.708649806167 0.492542865395} H10 16 1
8 {} {0.319438690213 0.615255787848 0.627803471927} O 17 1
1 {} {0.257648153566 0.641556010866 0.556616807849} 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