iterations/neb0_image01_iter274.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 {} {0.461587109409 0.260304639323 0.480408793612} O1 1 1
14 {} {0.327035940962 0.248050901089 0.573599734534} Si1 2 1
14 {} {0.59441956862 0.339676974388 0.426557407491} Si2 3 1
8 {} {0.552618690424 0.479024234138 0.349946706486} O2 4 1
8 {} {0.322370781978 0.367633460123 0.68688986285} O3 5 1
14 {} {0.253806739588 0.510716898496 0.731672348619} Si3 6 1
14 {} {0.540947471732 0.642990421361 0.358498986823} Si4 7 1
1 {} {0.33373415339 0.117309446497 0.644305155102} H1 8 1
1 {} {0.207227003478 0.256440227474 0.484853585719} H2 9 1
1 {} {0.660973789922 0.251693673731 0.327057566574} H3 10 1
1 {} {0.682914744797 0.372419331972 0.542499274843} H4 11 1
1 {} {0.106397285597 0.493518405942 0.744340629111} H5 12 1
1 {} {0.319500938947 0.549316168896 0.860121424347} H6 13 1
1 {} {0.409530784871 0.684145189974 0.302390030496} H7 14 1
1 {} {0.652558039193 0.705038045891 0.281260982583} H8 15 1
1 {} {0.550911485891 0.688764551938 0.501433421713} H10 16 1
8 {} {0.274300344613 0.628935786421 0.617667654915} O 17 1
1 {} {0.359251037911 0.67653927648 0.617554329152} 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