./iterations/neb0_image02_iter205.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.461601421021 0.258054090391 0.491367103663} O1 1 1
14 {} {0.327852321132 0.23952888611 0.584207294076} Si1 2 1
14 {} {0.584265840356 0.346508668309 0.429369156529} Si2 3 1
8 {} {0.528968881873 0.488650994702 0.368269728364} O2 4 1
8 {} {0.315913975501 0.35887646462 0.696312693562} O3 5 1
14 {} {0.247912351591 0.505379688845 0.728696515931} Si3 6 1
14 {} {0.556221240037 0.650765655316 0.359318609538} Si4 7 1
1 {} {0.34088261126 0.109962586317 0.656003644124} H1 8 1
1 {} {0.208555287924 0.241160075765 0.495133241336} H2 9 1
1 {} {0.643578801067 0.268049642596 0.318592305571} H3 10 1
1 {} {0.683491056698 0.376338372851 0.53628321923} H4 11 1
1 {} {0.101162612862 0.489726441547 0.744051229516} H5 12 1
1 {} {0.314435129635 0.554693723237 0.852201089205} H6 13 1
1 {} {0.430659250224 0.717169171786 0.314208095784} H7 14 1
1 {} {0.666328482324 0.680582847427 0.262758491213} H8 15 1
1 {} {0.592883240012 0.704550397641 0.494600645943} H10 16 1
8 {} {0.265213364108 0.611244836522 0.602722924368} O 17 1
1 {} {0.340160295779 0.671275437251 0.596962100495} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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