iterations/neb0_image09_iter179.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 {} {0.472044606859 0.216449282548 0.494032085869} O1 1 1
14 {} {0.333571632372 0.215565635785 0.582352852768} Si1 2 1
14 {} {0.605552143564 0.298299294541 0.444547509917} Si2 3 1
8 {} {0.568064606463 0.452423620233 0.400910628203} O2 4 1
8 {} {0.323225883104 0.349222840106 0.678115160557} O3 5 1
14 {} {0.299086957261 0.51183375503 0.673154757762} Si3 6 1
14 {} {0.510351133753 0.597614318811 0.452102907472} Si4 7 1
1 {} {0.335735391144 0.0970335238946 0.671429924338} H1 8 1
1 {} {0.21823934059 0.212853916875 0.488004714578} H2 9 1
1 {} {0.65951872219 0.229180848758 0.324857695804} H3 10 1
1 {} {0.7045573435 0.30217582832 0.556041206} H4 11 1
1 {} {0.154009277676 0.540840132885 0.659107298571} H5 12 1
1 {} {0.355524136909 0.56825625665 0.798432729375} H6 13 1
1 {} {0.319066826473 0.904687181696 0.42557122453} H7 14 1
1 {} {0.473995062613 0.676266993465 0.331967574574} H8 15 1
1 {} {0.614761686822 0.665516678479 0.533806831959} H10 16 1
8 {} {0.374686720009 0.578412361831 0.542643925439} O 17 1
1 {} {0.288094636054 0.855885451479 0.473978683553} 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