iterations/neb0_image01_iter126.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 {} {0.467103754955 0.245197261134 0.474264735597} O1 1 1
14 {} {0.328101422236 0.249938582015 0.561270359435} Si1 2 1
14 {} {0.598702131001 0.332791787616 0.429486273392} Si2 3 1
8 {} {0.55387840323 0.47576257269 0.363173505897} O2 4 1
8 {} {0.330001470968 0.379296728832 0.66203654888} O3 5 1
14 {} {0.26178233012 0.51443022748 0.726284937128} Si3 6 1
14 {} {0.532426468424 0.63877627039 0.370426632343} Si4 7 1
1 {} {0.32105701328 0.125958669132 0.642970956917} H1 8 1
1 {} {0.212859255045 0.259694501342 0.467462667261} H2 9 1
1 {} {0.670102425149 0.253845922819 0.326100948921} H3 10 1
1 {} {0.683408646816 0.358894532136 0.549356446907} H4 11 1
1 {} {0.116884953247 0.4915716222 0.748295163641} H5 12 1
1 {} {0.336025747984 0.542536124917 0.852171656077} H6 13 1
1 {} {0.391375345757 0.67312212131 0.337421634848} H7 14 1
1 {} {0.624301306697 0.704926095931 0.27376996836} H8 15 1
1 {} {0.563287783423 0.688751514896 0.508521306729} H10 16 1
8 {} {0.267749902193 0.643791479126 0.623570353661} O 17 1
1 {} {0.351037737712 0.693231948138 0.614473882327} 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