./iterations/neb0_image03_iter198.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 {} {0.457827442458 0.264481063846 0.492452657504} O1 1 1
14 {} {0.324054826341 0.23693104915 0.582498826112} Si1 2 1
14 {} {0.58266981926 0.35092866159 0.430757787423} Si2 3 1
8 {} {0.530843818281 0.494362063878 0.370080638211} O2 4 1
8 {} {0.306280484244 0.350521277637 0.700499802323} O3 5 1
14 {} {0.259517725699 0.503617869529 0.734692896212} Si3 6 1
14 {} {0.562145429229 0.656871267682 0.362056698344} Si4 7 1
1 {} {0.33973268893 0.105287129443 0.649189444442} H1 8 1
1 {} {0.206296512807 0.239540142332 0.491155396573} H2 9 1
1 {} {0.64057839253 0.270083917756 0.319681609373} H3 10 1
1 {} {0.683477185261 0.375721821696 0.53843915197} H4 11 1
1 {} {0.110034398763 0.512759447846 0.73342615489} H5 12 1
1 {} {0.317366559193 0.536317541052 0.867358470492} H6 13 1
1 {} {0.435441418473 0.725621716225 0.325069647923} H7 14 1
1 {} {0.663597944561 0.682050003177 0.255594228538} H8 15 1
1 {} {0.611262120801 0.708497351695 0.493600439133} H10 16 1
8 {} {0.320563983741 0.613062527367 0.625510783991} O 17 1
1 {} {0.258395458168 0.64586320642 0.558993116544} 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