./iterations/neb0_image01_iter286.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 {} {0.46096764781 0.259954557542 0.480731024929} O1 1 1
14 {} {0.327097779568 0.246803592628 0.574508366608} Si1 2 1
14 {} {0.593154887691 0.339899711479 0.427137169232} Si2 3 1
8 {} {0.55083912478 0.479569251954 0.351863413313} O2 4 1
8 {} {0.322707485011 0.366482802226 0.687986393495} O3 5 1
14 {} {0.254323304305 0.510102097394 0.730092420306} Si3 6 1
14 {} {0.541075858965 0.643649579737 0.358978167146} Si4 7 1
1 {} {0.334537327428 0.115985960801 0.644933928428} H1 8 1
1 {} {0.207026817536 0.255629255564 0.486658717538} H2 9 1
1 {} {0.660140147466 0.252818642659 0.327214023012} H3 10 1
1 {} {0.682304108392 0.372076269713 0.542379160228} H4 11 1
1 {} {0.107121801939 0.492623722027 0.741965918499} H5 12 1
1 {} {0.318807175134 0.551415861885 0.85782008767} H6 13 1
1 {} {0.410380415533 0.685912858391 0.302057641017} H7 14 1
1 {} {0.653419766134 0.704291472656 0.281767604062} H8 15 1
1 {} {0.550501250253 0.690287696628 0.501400748569} H10 16 1
8 {} {0.276604634272 0.626933879855 0.615002964983} O 17 1
1 {} {0.35907639224 0.678080376264 0.618560137419} 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