iterations/neb0_image05_iter11.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 {} {0.468932982249 0.228288326641 0.483350910716} O1 1 1
14 {} {0.331520158963 0.229041659824 0.570447016253} Si1 2 1
14 {} {0.603275431466 0.311868925352 0.438903534302} Si2 3 1
8 {} {0.558335122195 0.462213529296 0.383397818289} O2 4 1
8 {} {0.331402464477 0.368562671246 0.669851838381} O3 5 1
14 {} {0.280037807998 0.520363576751 0.696496057176} Si3 6 1
14 {} {0.511723293156 0.623772369975 0.413053846024} Si4 7 1
1 {} {0.330498873226 0.114098399374 0.662736277816} H1 8 1
1 {} {0.215216283944 0.234335658925 0.478967975324} H2 9 1
1 {} {0.667117873279 0.237390748705 0.327063093689} H3 10 1
1 {} {0.695225447202 0.328030685606 0.555396564371} H4 11 1
1 {} {0.126615356227 0.509379289174 0.707598082853} H5 12 1
1 {} {0.344060927323 0.552198695214 0.832985219415} H6 13 1
1 {} {0.354197066907 0.788916478643 0.387728337079} H7 14 1
1 {} {0.552180474783 0.691319670467 0.285390375445} H8 15 1
1 {} {0.587426785977 0.678824802072 0.528166297003} H10 16 1
8 {} {0.32801396062 0.633658608836 0.574185021941} O 17 1
1 {} {0.324305835854 0.760253857271 0.535339731708} 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