iterations/neb0_image09_iter232.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 {} {0.472377971429 0.21511809404 0.493884632208} O1 1 1
14 {} {0.333290021241 0.214935028984 0.581657121364} Si1 2 1
14 {} {0.606389869206 0.296401717045 0.445322983752} Si2 3 1
8 {} {0.570330616532 0.451413495628 0.404276741306} O2 4 1
8 {} {0.322368241163 0.349397406268 0.676049341065} O3 5 1
14 {} {0.300436025286 0.512515612489 0.672895316038} Si3 6 1
14 {} {0.511686147659 0.597174809159 0.4525206688} Si4 7 1
1 {} {0.334043309584 0.0966062353111 0.671349826761} H1 8 1
1 {} {0.218973045845 0.211168430273 0.486113938368} H2 9 1
1 {} {0.65908990146 0.228634621323 0.324249091358} H3 10 1
1 {} {0.705778619447 0.296865401272 0.556544868212} H4 11 1
1 {} {0.155704943078 0.543328415554 0.659388792709} H5 12 1
1 {} {0.358196916752 0.567402976325 0.798430623249} H6 13 1
1 {} {0.31594390556 0.914347105167 0.432698059431} H7 14 1
1 {} {0.474435379832 0.673199907147 0.331123397916} H8 15 1
1 {} {0.614794739035 0.666537662396 0.534244509297} H10 16 1
8 {} {0.375862795003 0.579390335452 0.542880312886} O 17 1
1 {} {0.280383669912 0.858080703729 0.467427400506} 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