iterations/neb0_image05_iter67.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468412574431 0.222311933643 0.483720994567} O1 1 1
14 {} {0.331106465788 0.227728271586 0.573646029015} Si1 2 1
14 {} {0.589386227214 0.327728078269 0.443006656166} Si2 3 1
8 {} {0.526392212535 0.476065060171 0.414915261143} O2 4 1
8 {} {0.329707374245 0.360509748424 0.672682659166} O3 5 1
14 {} {0.288379991871 0.517230103097 0.686196107891} Si3 6 1
14 {} {0.503446243448 0.64219270584 0.430769502196} Si4 7 1
1 {} {0.328763726896 0.110507919421 0.663666150503} H1 8 1
1 {} {0.214463121779 0.232820723369 0.481672597665} H2 9 1
1 {} {0.653840800158 0.274281472711 0.318968235663} H3 10 1
1 {} {0.688128445928 0.340354387109 0.555759271212} H4 11 1
1 {} {0.143123079611 0.538496019637 0.681271154875} H5 12 1
1 {} {0.34747809209 0.570580606368 0.809946880953} H6 13 1
1 {} {0.393225232991 0.764303617316 0.426686327717} H7 14 1
1 {} {0.532282546348 0.679169267147 0.288877451369} H8 15 1
1 {} {0.599590491875 0.696498174558 0.533146134569} H10 16 1
8 {} {0.346431607037 0.599198711833 0.552575970708} O 17 1
1 {} {0.325927869659 0.692541150199 0.513550595691} 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