./iterations/neb0_image01_iter263.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 {} {0.462229535019 0.259774687978 0.47988767659} O1 1 1
14 {} {0.327348531945 0.249097381092 0.57205639803} Si1 2 1
14 {} {0.595316227046 0.339034992588 0.426326745427} Si2 3 1
8 {} {0.554499716717 0.478109229014 0.3496029372} O2 4 1
8 {} {0.321760416661 0.368915385341 0.684000110631} O3 5 1
14 {} {0.254077372614 0.511243726907 0.732744997502} Si3 6 1
14 {} {0.540467158078 0.641883773999 0.35864904428} Si4 7 1
1 {} {0.332306247954 0.119271176039 0.643882850111} H1 8 1
1 {} {0.208323482857 0.257718030018 0.483162579907} H2 9 1
1 {} {0.662170659715 0.251311021676 0.327126684463} H3 10 1
1 {} {0.682912682313 0.371829673283 0.54239998857} H4 11 1
1 {} {0.107346268638 0.494251222751 0.746135751644} H5 12 1
1 {} {0.320614407292 0.54704647161 0.861016822084} H6 13 1
1 {} {0.40770302131 0.682268579647 0.304759280502} H7 14 1
1 {} {0.650209836832 0.705649950433 0.280823913629} H8 15 1
1 {} {0.551968040772 0.687389133924 0.501216525495} H10 16 1
8 {} {0.272227144324 0.631651922511 0.621205526824} O 17 1
1 {} {0.358605151934 0.676071331795 0.616060062929} 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