./iterations/neb0_image01_iter262.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 {} {0.462372043818 0.259516861884 0.479743500194} O1 1 1
14 {} {0.327352027988 0.249265950521 0.571761724211} Si1 2 1
14 {} {0.59548897229 0.338859915468 0.426292993976} Si2 3 1
8 {} {0.554661528305 0.477998056938 0.349715220216} O2 4 1
8 {} {0.321836879172 0.369336543804 0.683306850103} O3 5 1
14 {} {0.25412453543 0.511368107979 0.732813340518} Si3 6 1
14 {} {0.540385681265 0.641702528554 0.358832989139} Si4 7 1
1 {} {0.331999053536 0.119601817872 0.643920161965} H1 8 1
1 {} {0.208503138694 0.257940350576 0.482648835084} H2 9 1
1 {} {0.662490474211 0.251267614463 0.327130730801} H3 10 1
1 {} {0.682913414266 0.371594246274 0.542432891787} H4 11 1
1 {} {0.107467508728 0.494269913348 0.746537966562} H5 12 1
1 {} {0.32093934707 0.546635030305 0.861019595985} H6 13 1
1 {} {0.407270595322 0.681801500301 0.305573731969} H7 14 1
1 {} {0.649597935699 0.705797724424 0.280567925839} H8 15 1
1 {} {0.552253813722 0.687173407491 0.501360138623} H10 16 1
8 {} {0.271917854385 0.632293492752 0.621755873065} O 17 1
1 {} {0.358511097951 0.676094639268 0.615643423893} 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