./iterations/neb0_image03_iter166.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459829627426 0.259653070319 0.493323148539} O1 1 1
14 {} {0.325024241945 0.235246047061 0.582561561934} Si1 2 1
14 {} {0.582474276183 0.349171771125 0.432331446085} Si2 3 1
8 {} {0.528457347659 0.492481119007 0.373805515901} O2 4 1
8 {} {0.309175059159 0.349807995607 0.698766197183} O3 5 1
14 {} {0.262898194344 0.505103880975 0.730350050957} Si3 6 1
14 {} {0.556452118356 0.654572351977 0.365512291265} Si4 7 1
1 {} {0.337938991696 0.102546387399 0.648387247834} H1 8 1
1 {} {0.206951154498 0.239853939448 0.49188964062} H2 9 1
1 {} {0.640602392951 0.27197869285 0.319611520155} H3 10 1
1 {} {0.684016990365 0.374132170648 0.538928433992} H4 11 1
1 {} {0.113921591583 0.516654839803 0.72617256542} H5 12 1
1 {} {0.321111070689 0.538086692233 0.863251769004} H6 13 1
1 {} {0.429314199462 0.723125900932 0.328427848935} H7 14 1
1 {} {0.659073325311 0.681027019022 0.259902964799} H8 15 1
1 {} {0.607462132196 0.707926119534 0.494832637203} H10 16 1
8 {} {0.324553725333 0.607345226541 0.615553773208} O 17 1
1 {} {0.260829761364 0.663804830897 0.567449187227} 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