./iterations/neb0_image08_iter131.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470923322877 0.221603923204 0.490394036775} O1 1 1
14 {} {0.331172438319 0.220501029652 0.576899602148} Si1 2 1
14 {} {0.605767050362 0.304822596669 0.446232861451} Si2 3 1
8 {} {0.570544814847 0.459564579622 0.403363282532} O2 4 1
8 {} {0.324411391486 0.349856048937 0.679272632905} O3 5 1
14 {} {0.300509373564 0.512688123005 0.67549702588} Si3 6 1
14 {} {0.508895595786 0.603837982349 0.45334088765} Si4 7 1
1 {} {0.328333867196 0.0976139083021 0.659545551199} H1 8 1
1 {} {0.216303484059 0.226183323805 0.4823378776} H2 9 1
1 {} {0.66235771261 0.236172882467 0.327047155209} H3 10 1
1 {} {0.702103744454 0.309917172227 0.560519331942} H4 11 1
1 {} {0.155050970285 0.542015057447 0.663716815757} H5 12 1
1 {} {0.358536067429 0.568794647596 0.800574869063} H6 13 1
1 {} {0.331307906766 0.865761953852 0.431177926986} H7 14 1
1 {} {0.471166947982 0.677915863921 0.330896472527} H8 15 1
1 {} {0.608865760511 0.678401246264 0.535382995841} H10 16 1
8 {} {0.373713888806 0.579817912786 0.543818149945} O 17 1
1 {} {0.290121847635 0.817049716474 0.471040439482} 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
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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