iterations/neb0_image05_iter43.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469326867566 0.226387617678 0.483412473224} O1 1 1
14 {} {0.332975845025 0.231310205225 0.570428459747} Si1 2 1
14 {} {0.590977877106 0.328444630432 0.440379804327} Si2 3 1
8 {} {0.529123303413 0.475880999487 0.407685567456} O2 4 1
8 {} {0.334567713463 0.369046844129 0.660022381049} O3 5 1
14 {} {0.285169788167 0.519750790326 0.690461605278} Si3 6 1
14 {} {0.501498125259 0.640430004601 0.428203032702} Si4 7 1
1 {} {0.330814014534 0.118024131343 0.663327002343} H1 8 1
1 {} {0.215075795026 0.23278934697 0.482182727538} H2 9 1
1 {} {0.65747073567 0.258360914189 0.327851198548} H3 10 1
1 {} {0.689910450581 0.334902194069 0.55045988878} H4 11 1
1 {} {0.13438000422 0.530517982615 0.694874071561} H5 12 1
1 {} {0.342321909319 0.567109310392 0.821253237713} H6 13 1
1 {} {0.38699800387 0.762203296163 0.424262784358} H7 14 1
1 {} {0.534885608564 0.684081929576 0.288172288301} H8 15 1
1 {} {0.594963384714 0.687696397682 0.533852040543} H10 16 1
8 {} {0.349552145201 0.608596602652 0.564142026977} O 17 1
1 {} {0.330074551268 0.696984759839 0.500087384795} 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