./iterations/neb0_image02_iter161.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 {} {0.464161654908 0.250886625207 0.489094409624} O1 1 1
14 {} {0.328476649942 0.239523524848 0.580670187952} Si1 2 1
14 {} {0.586315636561 0.342396656524 0.430382148266} Si2 3 1
8 {} {0.529145912443 0.484243493736 0.370716906106} O2 4 1
8 {} {0.319670479968 0.362992796008 0.688522057379} O3 5 1
14 {} {0.252895508373 0.509274527623 0.72437881115} Si3 6 1
14 {} {0.548664971574 0.647730979786 0.363800414569} Si4 7 1
1 {} {0.336071289114 0.111797106654 0.656056033959} H1 8 1
1 {} {0.211051680816 0.242665372799 0.490050172593} H2 9 1
1 {} {0.649310991734 0.266544194875 0.319479022195} H3 10 1
1 {} {0.684640009595 0.371452473345 0.538797919113} H4 11 1
1 {} {0.106559405991 0.491870613764 0.741126157452} H5 12 1
1 {} {0.320141863236 0.557498889138 0.848355254834} H6 13 1
1 {} {0.420036255262 0.709914965876 0.323827944319} H7 14 1
1 {} {0.65578958056 0.682762011056 0.265528544327} H8 15 1
1 {} {0.588617218508 0.701344325513 0.497928466619} H10 16 1
8 {} {0.267828820639 0.61727061019 0.601252017811} O 17 1
1 {} {0.340708156222 0.682348766126 0.601091675125} 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