./iterations/neb0_image01_iter14.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 {} {0.467589044389 0.243522166339 0.47145094483} O1 1 1
14 {} {0.327498294126 0.250612477439 0.556620964583} Si1 2 1
14 {} {0.602223659102 0.329912096165 0.431597867161} Si2 3 1
8 {} {0.560301457736 0.475524539267 0.365796701894} O2 4 1
8 {} {0.331836541125 0.378745979594 0.65831463803} O3 5 1
14 {} {0.266865350066 0.512199436372 0.728792006659} Si3 6 1
14 {} {0.525936377039 0.637151127815 0.370815957615} Si4 7 1
1 {} {0.316689479548 0.126465426721 0.638108703333} H1 8 1
1 {} {0.213655822331 0.264270390546 0.461255363445} H2 9 1
1 {} {0.675249858152 0.248849805936 0.329941245193} H3 10 1
1 {} {0.684991430504 0.350212353691 0.554522781793} H4 11 1
1 {} {0.121339640563 0.488190996819 0.747887511241} H5 12 1
1 {} {0.341816342029 0.531418579713 0.856142813804} H6 13 1
1 {} {0.387952134296 0.68395333386 0.336202134508} H7 14 1
1 {} {0.613139015558 0.704419124691 0.271692191803} H8 15 1
1 {} {0.559209995906 0.689260387174 0.507338254486} H10 16 1
8 {} {0.273613733692 0.647235548152 0.628748867356} O 17 1
1 {} {0.340177958837 0.710574182503 0.615829045886} 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