./iterations/neb0_image03_iter280.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 {} {0.457586924002 0.264451932968 0.484257534101} O1 1 1
14 {} {0.324417979265 0.24103912293 0.576630140381} Si1 2 1
14 {} {0.588252099101 0.347327798754 0.431220992879} Si2 3 1
8 {} {0.54280250141 0.49276689438 0.371215804277} O2 4 1
8 {} {0.304207016379 0.360442715583 0.685906766684} O3 5 1
14 {} {0.250931989428 0.508436876509 0.734267802996} Si3 6 1
14 {} {0.56571566752 0.656246109079 0.368493913869} Si4 7 1
1 {} {0.341890614467 0.113460864514 0.650278252484} H1 8 1
1 {} {0.206866601995 0.236762968036 0.485480666359} H2 9 1
1 {} {0.648790741305 0.269384438145 0.32042429212} H3 10 1
1 {} {0.683632335871 0.366757817502 0.544146048722} H4 11 1
1 {} {0.103167347054 0.500274572875 0.750575664781} H5 12 1
1 {} {0.31807506011 0.544833967754 0.860764085898} H6 13 1
1 {} {0.431693469782 0.719056933628 0.354020241821} H7 14 1
1 {} {0.650289316121 0.693421464928 0.250467929992} H8 15 1
1 {} {0.62994573607 0.70189042807 0.495386784095} H10 16 1
8 {} {0.297750153769 0.627970332264 0.629343845816} O 17 1
1 {} {0.264070546449 0.6279927774 0.538176816453} 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