./iterations/neb0_image01_iter12.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 {} {0.467703323184 0.243657285427 0.471373746786} O1 1 1
14 {} {0.327326854334 0.25045262884 0.556427034556} Si1 2 1
14 {} {0.602276827416 0.32966408409 0.431723151384} Si2 3 1
8 {} {0.560557044346 0.475828764203 0.365641579638} O2 4 1
8 {} {0.331641851587 0.379279937139 0.658598173547} O3 5 1
14 {} {0.266944870626 0.5119775679 0.728580022769} Si3 6 1
14 {} {0.526052555414 0.636775534097 0.370811134874} Si4 7 1
1 {} {0.316641450879 0.126579620188 0.63801564083} H1 8 1
1 {} {0.213685857703 0.2644113772 0.4612068637} H2 9 1
1 {} {0.675319375224 0.248812091697 0.329944902539} H3 10 1
1 {} {0.68497998515 0.350258644473 0.554553536589} H4 11 1
1 {} {0.121276842156 0.488059810284 0.748013518201} H5 12 1
1 {} {0.341822336837 0.531286200917 0.85623181541} H6 13 1
1 {} {0.387825819762 0.684205516554 0.335837258573} H7 14 1
1 {} {0.613041337043 0.704377086059 0.271816365093} H8 15 1
1 {} {0.559151200369 0.689323436693 0.507124329757} H10 16 1
8 {} {0.272970433484 0.646211141662 0.629542395764} O 17 1
1 {} {0.340868168787 0.711357224126 0.615616523898} 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