./iterations/neb0_image03_iter239.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455232209088 0.268783919078 0.489651229365} O1 1 1
14 {} {0.32324162855 0.239100839842 0.581705318459} Si1 2 1
14 {} {0.58358105857 0.350834030453 0.429629325866} Si2 3 1
8 {} {0.534997917826 0.495344451257 0.367456436606} O2 4 1
8 {} {0.302642902271 0.352320753448 0.698971066956} O3 5 1
14 {} {0.25444984078 0.50404559624 0.739062935157} Si3 6 1
14 {} {0.566584715229 0.657233908937 0.360550740422} Si4 7 1
1 {} {0.341606674055 0.108495655016 0.648588733462} H1 8 1
1 {} {0.206403592926 0.239401842293 0.489804579864} H2 9 1
1 {} {0.643070519198 0.269756433852 0.319283205763} H3 10 1
1 {} {0.682971322942 0.376458768285 0.538642938515} H4 11 1
1 {} {0.105178710191 0.506398259232 0.742146441221} H5 12 1
1 {} {0.316142518477 0.537048647017 0.870149575039} H6 13 1
1 {} {0.436056128291 0.724204538526 0.328119609115} H7 14 1
1 {} {0.666875328477 0.685758608796 0.25432205218} H8 15 1
1 {} {0.621089630522 0.708271474499 0.490721942215} H10 16 1
8 {} {0.309276998393 0.61965902903 0.633792960009} O 17 1
1 {} {0.260684479162 0.629401309254 0.548458534197} 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