./iterations/neb0_image03_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457719377528 0.266956344029 0.486590056238} O1 1 1
14 {} {0.324296152296 0.240773051152 0.578031209336} Si1 2 1
14 {} {0.587217563435 0.34962642014 0.42989436286} Si2 3 1
8 {} {0.540043234861 0.493714169293 0.369161078428} O2 4 1
8 {} {0.303591917227 0.356773349974 0.691919436623} O3 5 1
14 {} {0.252288319989 0.506682680465 0.736735012925} Si3 6 1
14 {} {0.565067413637 0.656496224827 0.364864816669} Si4 7 1
1 {} {0.341752473027 0.111513651738 0.649601966097} H1 8 1
1 {} {0.205151013808 0.238386011315 0.487608483854} H2 9 1
1 {} {0.645484554756 0.26893160035 0.319851114216} H3 10 1
1 {} {0.682671095944 0.371633563277 0.541762055455} H4 11 1
1 {} {0.103034772566 0.502024063621 0.747471667563} H5 12 1
1 {} {0.317403497556 0.541024407545 0.865546489712} H6 13 1
1 {} {0.433428062525 0.721373959357 0.340672937045} H7 14 1
1 {} {0.657738757692 0.689480419343 0.253610429614} H8 15 1
1 {} {0.624670381106 0.704154506107 0.492194969208} H10 16 1
8 {} {0.304158840487 0.623862048051 0.632086346336} O 17 1
1 {} {0.264368707385 0.629111577733 0.543455157803} 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
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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