iterations/neb0_image05_iter71.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 {} {0.468604687882 0.222782721818 0.484691280225} O1 1 1
14 {} {0.33104813534 0.226726132053 0.574136754035} Si1 2 1
14 {} {0.589318575887 0.327758523348 0.443244878939} Si2 3 1
8 {} {0.527037791205 0.476690847701 0.415942765734} O2 4 1
8 {} {0.329079162265 0.359575250181 0.673468286661} O3 5 1
14 {} {0.2887243901 0.516648468714 0.685271962005} Si3 6 1
14 {} {0.503469702105 0.642808662558 0.429937636235} Si4 7 1
1 {} {0.328260711462 0.109110975713 0.663094889489} H1 8 1
1 {} {0.215176348746 0.232840111259 0.482369570223} H2 9 1
1 {} {0.653647381772 0.275350448098 0.318682879955} H3 10 1
1 {} {0.687497919523 0.33963722203 0.555956358637} H4 11 1
1 {} {0.142896175315 0.539094227087 0.679654124559} H5 12 1
1 {} {0.348996548695 0.571193864697 0.808788329405} H6 13 1
1 {} {0.392851468908 0.765657606666 0.428787009622} H7 14 1
1 {} {0.533089583262 0.678336031165 0.287573435865} H8 15 1
1 {} {0.599506327036 0.696436275011 0.53291087058} H10 16 1
8 {} {0.346160134625 0.59925069749 0.550985954123} O 17 1
1 {} {0.324721059162 0.692619883824 0.515560996672} 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