./iterations/neb0_image01_iter185.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464740181999 0.254626744539 0.47705618649} O1 1 1
14 {} {0.327269406958 0.25119292045 0.566680165583} Si1 2 1
14 {} {0.597870677273 0.336086435475 0.426967779405} Si2 3 1
8 {} {0.556666568797 0.476672328212 0.352644830126} O2 4 1
8 {} {0.325159515896 0.376476603527 0.672709096857} O3 5 1
14 {} {0.256008938732 0.513192537861 0.732978372927} Si3 6 1
14 {} {0.537676194078 0.640034865641 0.36240860148} Si4 7 1
1 {} {0.326854957563 0.124239608394 0.644164852194} H1 8 1
1 {} {0.210374756869 0.259559118076 0.474413833975} H2 9 1
1 {} {0.666825803733 0.250198050834 0.327338956575} H3 10 1
1 {} {0.6841887379 0.367029891144 0.544737339998} H4 11 1
1 {} {0.109647121825 0.494102720858 0.750994761281} H5 12 1
1 {} {0.326541649501 0.540693584903 0.861289627338} H6 13 1
1 {} {0.400357060958 0.677385454581 0.318580167297} H7 14 1
1 {} {0.638934811974 0.707302295983 0.276242909038} H8 15 1
1 {} {0.556973448686 0.685258171907 0.504405926637} H10 16 1
8 {} {0.268207499887 0.640551605688 0.62821284656} O 17 1
1 {} {0.355788595041 0.677914907473 0.609231646199} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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