./iterations/neb0_image09_iter114.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 {} {0.471874265516 0.214559471779 0.494145152449} O1 1 1
14 {} {0.33531428629 0.216264569902 0.58547753463} Si1 2 1
14 {} {0.60353348769 0.299457825976 0.444618902314} Si2 3 1
8 {} {0.56157561964 0.452131527476 0.401124569139} O2 4 1
8 {} {0.327131103382 0.353301356776 0.676201319078} O3 5 1
14 {} {0.297080524516 0.514957781092 0.670447641499} Si3 6 1
14 {} {0.507824263031 0.59890802412 0.451100069418} Si4 7 1
1 {} {0.338914394865 0.100958656511 0.679084288923} H1 8 1
1 {} {0.217968616112 0.21054200951 0.493860789541} H2 9 1
1 {} {0.658905184428 0.231592013644 0.32496146692} H3 10 1
1 {} {0.702148508544 0.307108128912 0.556098536812} H4 11 1
1 {} {0.150955718156 0.538324880617 0.657110574813} H5 12 1
1 {} {0.351422736438 0.574651992037 0.795272529261} H6 13 1
1 {} {0.322908652948 0.882780285554 0.414890395866} H7 14 1
1 {} {0.476335787462 0.678009957415 0.329973064684} H8 15 1
1 {} {0.612024254144 0.664336566655 0.535204953964} H10 16 1
8 {} {0.370038737941 0.582409256328 0.539814673871} O 17 1
1 {} {0.304130019263 0.852223677102 0.481671501263} 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