iterations/neb0_image07_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.479106561782 0.212537315466 0.501591189806} O1 1 1
14 {} {0.336933932939 0.211450956526 0.5855324911} Si1 2 1
14 {} {0.613331201732 0.29391383974 0.454878453186} Si2 3 1
8 {} {0.582466650908 0.453368935813 0.429884294938} O2 4 1
8 {} {0.31370235313 0.35308537428 0.664377700341} O3 5 1
14 {} {0.290148321677 0.515291488105 0.647039465611} Si3 6 1
14 {} {0.49664811748 0.592328543538 0.430378538433} Si4 7 1
1 {} {0.342224984214 0.105281643914 0.688957303636} H1 8 1
1 {} {0.227963650637 0.189117931006 0.485903802435} H2 9 1
1 {} {0.662075221459 0.235066000445 0.327221500033} H3 10 1
1 {} {0.715948561826 0.281735411768 0.561948271552} H4 11 1
1 {} {0.144136554861 0.542018569709 0.647648989795} H5 12 1
1 {} {0.362913305407 0.583443098637 0.758452930578} H6 13 1
1 {} {0.337695531999 0.927046568853 0.498158632247} H7 14 1
1 {} {0.471370217699 0.63579737551 0.291096846635} H8 15 1
1 {} {0.573675868695 0.69395354177 0.505833045125} H10 16 1
8 {} {0.349848951905 0.567488999353 0.502468300105} O 17 1
1 {} {0.309895815696 0.879592245171 0.549685942838} 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