./iterations/neb0_image02_iter41.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467584362794 0.237637920704 0.475249235168} O1 1 1
14 {} {0.329431824272 0.245503124154 0.562560811352} Si1 2 1
14 {} {0.595474509449 0.330884617044 0.432367010113} Si2 3 1
8 {} {0.543324213776 0.474984212206 0.374477744875} O2 4 1
8 {} {0.334295629196 0.377830783055 0.65965924996} O3 5 1
14 {} {0.26900863476 0.516409853741 0.715900334302} Si3 6 1
14 {} {0.529158428697 0.639061041921 0.378978803995} Si4 7 1
1 {} {0.322350558304 0.123459144912 0.645910126466} H1 8 1
1 {} {0.21465174157 0.252950720329 0.469336125813} H2 9 1
1 {} {0.667804743568 0.256973479441 0.326422932368} H3 10 1
1 {} {0.68423552538 0.350782608585 0.550075661982} H4 11 1
1 {} {0.123475117595 0.499273672512 0.737067839373} H5 12 1
1 {} {0.340840681019 0.548743156255 0.842435378073} H6 13 1
1 {} {0.387458533971 0.677389487369 0.35870673887} H7 14 1
1 {} {0.612822407007 0.7014699914 0.269998718525} H8 15 1
1 {} {0.570349683008 0.688920572775 0.515682148923} H10 16 1
8 {} {0.281217227031 0.636027281772 0.602323050052} O 17 1
1 {} {0.336602328932 0.714216290195 0.613906077578} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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