./iterations/neb0_image02_iter124.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467809698252 0.240049211922 0.480703152166} O1 1 1
14 {} {0.329623169996 0.242478633043 0.569291312664} Si1 2 1
14 {} {0.593258382635 0.334048676154 0.431513366604} Si2 3 1
8 {} {0.538112095567 0.477207714742 0.374123352358} O2 4 1
8 {} {0.328265101812 0.372407483327 0.669251261875} O3 5 1
14 {} {0.262391094087 0.515127968314 0.717283919811} Si3 6 1
14 {} {0.53518749032 0.641812163752 0.375010876863} Si4 7 1
1 {} {0.327014404417 0.119251854566 0.652448559007} H1 8 1
1 {} {0.212596681132 0.247835141421 0.47726252082} H2 9 1
1 {} {0.66092029399 0.2612092981 0.321279144633} H3 10 1
1 {} {0.683874444409 0.358844268986 0.547220136224} H4 11 1
1 {} {0.11691656176 0.495539038498 0.73834392226} H5 12 1
1 {} {0.334102307559 0.55680666349 0.841040313031} H6 13 1
1 {} {0.396794343577 0.689960682785 0.347631154386} H7 14 1
1 {} {0.627422803225 0.693197016597 0.269838703768} H8 15 1
1 {} {0.580036174552 0.693517294078 0.508444452578} H10 16 1
8 {} {0.275818528778 0.630462512008 0.599835867928} O 17 1
1 {} {0.339942534463 0.702762360284 0.610536004407} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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