./iterations/neb0_image09_iter277.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472856197478 0.210968646122 0.494926329449} O1 1 1
14 {} {0.333395618263 0.214490046552 0.582157411716} Si1 2 1
14 {} {0.606825871616 0.293140169179 0.44736371672} Si2 3 1
8 {} {0.571245920479 0.44970235051 0.411088089871} O2 4 1
8 {} {0.322665991284 0.351601088186 0.671977790358} O3 5 1
14 {} {0.300371038201 0.514749744793 0.670443577138} Si3 6 1
14 {} {0.512385898996 0.596843731306 0.452374092594} Si4 7 1
1 {} {0.334098870616 0.0995373455486 0.676201903996} H1 8 1
1 {} {0.218952255064 0.208588097277 0.486673460473} H2 9 1
1 {} {0.658208345691 0.229182389491 0.324007917938} H3 10 1
1 {} {0.707154037774 0.289923942724 0.557293193039} H4 11 1
1 {} {0.15557179188 0.545881018795 0.660137543149} H5 12 1
1 {} {0.360790956359 0.567987158465 0.795188903234} H6 13 1
1 {} {0.31286172384 0.918959312874 0.437883006241} H7 14 1
1 {} {0.478364316423 0.669951107336 0.328199730033} H8 15 1
1 {} {0.614941802371 0.668853346824 0.533089483153} H10 16 1
8 {} {0.373734888905 0.582629674002 0.539617539245} O 17 1
1 {} {0.275660682367 0.859528720667 0.462433968299} 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 0
15 6 0 0
16 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
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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