./iterations/neb0_image06_iter98.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470772574225 0.223428935037 0.490660845997} O1 1 1
14 {} {0.330419984041 0.223036730073 0.578142039175} Si1 2 1
14 {} {0.595409568388 0.320892006195 0.446018780867} Si2 3 1
8 {} {0.549045351199 0.471920812998 0.408125718165} O2 4 1
8 {} {0.325228649636 0.352946945591 0.679339976405} O3 5 1
14 {} {0.29449405316 0.514879535665 0.676500515808} Si3 6 1
14 {} {0.496411398802 0.621906167795 0.446699123915} Si4 7 1
1 {} {0.327198762233 0.0995225427833 0.661260085786} H1 8 1
1 {} {0.214734222028 0.230220084977 0.484036190231} H2 9 1
1 {} {0.653787131274 0.267758188225 0.320767597607} H3 10 1
1 {} {0.692122468424 0.327175804226 0.559454933916} H4 11 1
1 {} {0.147616157535 0.540314527639 0.669397308993} H5 12 1
1 {} {0.355996305394 0.572620990518 0.799150290787} H6 13 1
1 {} {0.367457695794 0.796903883136 0.439953576471} H7 14 1
1 {} {0.503530134252 0.678616217883 0.306684973967} H8 15 1
1 {} {0.594509314943 0.695428991449 0.531708946398} H10 16 1
8 {} {0.361572921799 0.58369387715 0.542495013714} O 17 1
1 {} {0.329779405246 0.751251730428 0.490662083692} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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