./iterations/neb0_image05_iter133.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 {} {0.47113342557 0.228284045328 0.486855630861} O1 1 1
14 {} {0.330268264086 0.223576095349 0.570112166444} Si1 2 1
14 {} {0.59313677593 0.333545738048 0.450126606861} Si2 3 1
8 {} {0.536272471361 0.487281698158 0.440369211707} O2 4 1
8 {} {0.319143666944 0.358746515544 0.664210832706} O3 5 1
14 {} {0.280037796764 0.515868614916 0.677493022727} Si3 6 1
14 {} {0.51510663445 0.651794621599 0.430354992476} Si4 7 1
1 {} {0.330339138741 0.107001603438 0.66083970885} H1 8 1
1 {} {0.216007078723 0.221223069018 0.476696447412} H2 9 1
1 {} {0.651078922806 0.281422843559 0.322635027081} H3 10 1
1 {} {0.697278300351 0.327852377732 0.557441507874} H4 11 1
1 {} {0.134395305175 0.532681772563 0.69841349664} H5 12 1
1 {} {0.36342553162 0.58102189374 0.782320140676} H6 13 1
1 {} {0.421895898122 0.773675937677 0.454875388143} H7 14 1
1 {} {0.521699470489 0.670092552125 0.282501566481} H8 15 1
1 {} {0.623252437966 0.69742855984 0.519164037609} H10 16 1
8 {} {0.313089210983 0.59249905699 0.531857922332} O 17 1
1 {} {0.292525723403 0.688520920989 0.524790307031} 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