./iterations/neb0_image02_iter76.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 {} {0.468174562435 0.236647246932 0.476728176312} O1 1 1
14 {} {0.329679863759 0.243846823001 0.564715336742} Si1 2 1
14 {} {0.595211817058 0.331253351141 0.4314247597} Si2 3 1
8 {} {0.541813361026 0.475120359328 0.374689431571} O2 4 1
8 {} {0.330448507811 0.375353753586 0.66257763548} O3 5 1
14 {} {0.266403476159 0.517168024954 0.714562561086} Si3 6 1
14 {} {0.530164897903 0.639370400642 0.379752154611} Si4 7 1
1 {} {0.323513338563 0.122254654965 0.649974662212} H1 8 1
1 {} {0.213584699521 0.250987433375 0.47204878685} H2 9 1
1 {} {0.666172184751 0.260223233808 0.321658470055} H3 10 1
1 {} {0.682712036426 0.354255853175 0.55006488271} H4 11 1
1 {} {0.121317087892 0.496205726493 0.736957485523} H5 12 1
1 {} {0.339531230896 0.557590102747 0.838146348359} H6 13 1
1 {} {0.388293235895 0.678720268372 0.356904722633} H7 14 1
1 {} {0.616259916815 0.697668303273 0.273313017674} H8 15 1
1 {} {0.57711503096 0.690993205882 0.512300796068} H10 16 1
8 {} {0.280063504467 0.634516113891 0.599405832758} O 17 1
1 {} {0.33962736541 0.710343122866 0.615832922419} 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