iterations/neb0_image09_iter29.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471369005773 0.21441956777 0.49489716415} O1 1 1
14 {} {0.336234584431 0.216919505421 0.586828226658} Si1 2 1
14 {} {0.60282424749 0.299206780508 0.444462180907} Si2 3 1
8 {} {0.558342415301 0.45076756202 0.401504013132} O2 4 1
8 {} {0.328604379761 0.35672675968 0.674427625355} O3 5 1
14 {} {0.296216830394 0.517058921143 0.668462681371} Si3 6 1
14 {} {0.507070623321 0.599160097041 0.450527522291} Si4 7 1
1 {} {0.342110779386 0.104665133684 0.683731072304} H1 8 1
1 {} {0.2180359899 0.207921394301 0.496794018012} H2 9 1
1 {} {0.658539655876 0.228936885737 0.326141302411} H3 10 1
1 {} {0.702800422005 0.307586404828 0.554712763512} H4 11 1
1 {} {0.148889383033 0.53487864499 0.661038935611} H5 12 1
1 {} {0.346465877155 0.573488573559 0.796313987722} H6 13 1
1 {} {0.322978321666 0.880540202748 0.41262981363} H7 14 1
1 {} {0.485079919856 0.674747650218 0.323834098979} H8 15 1
1 {} {0.60992916719 0.665663994048 0.53547521922} H10 16 1
8 {} {0.367865916423 0.585342270127 0.537641269539} O 17 1
1 {} {0.306728643622 0.854487596626 0.481636100116} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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