./iterations/neb0_image01_iter93.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 {} {0.467522870936 0.242234002214 0.473350492693} O1 1 1
14 {} {0.328151718545 0.249387681393 0.560067105613} Si1 2 1
14 {} {0.598278013606 0.331894224 0.4301826353} Si2 3 1
8 {} {0.551910625972 0.475505951159 0.366445793994} O2 4 1
8 {} {0.3316320122 0.379992547675 0.659470905313} O3 5 1
14 {} {0.26284519178 0.514972357953 0.723552878043} Si3 6 1
14 {} {0.531200415223 0.638457800225 0.372914130266} Si4 7 1
1 {} {0.319933070261 0.126020779203 0.642809679724} H1 8 1
1 {} {0.213416803324 0.259519759677 0.465547490521} H2 9 1
1 {} {0.671224401945 0.256235063993 0.325460322474} H3 10 1
1 {} {0.682740688819 0.356303906207 0.550412731583} H4 11 1
1 {} {0.118441955279 0.48924327843 0.747527260664} H5 12 1
1 {} {0.339019563674 0.546651138306 0.847303503312} H6 13 1
1 {} {0.388981514973 0.671080576415 0.343379750891} H7 14 1
1 {} {0.620725999922 0.703618997968 0.273275087677} H8 15 1
1 {} {0.565018578888 0.689910679361 0.509723371736} H10 16 1
8 {} {0.268739423896 0.644242481204 0.620678489146} O 17 1
1 {} {0.350303291556 0.697246716333 0.618956365499} 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