./iterations/neb0_image07_iter130.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469506148922 0.22792096943 0.491686847683} O1 1 1
14 {} {0.329899738344 0.222119556046 0.578089139365} Si1 2 1
14 {} {0.606256550055 0.308745828055 0.448245843034} Si2 3 1
8 {} {0.576930566989 0.466059653247 0.409678779961} O2 4 1
8 {} {0.320343030746 0.352132425992 0.679452682547} O3 5 1
14 {} {0.297065103129 0.514943430272 0.667913583236} Si3 6 1
14 {} {0.502827313762 0.607809232007 0.448189313974} Si4 7 1
1 {} {0.330775235066 0.0992447185154 0.660745114319} H1 8 1
1 {} {0.214671335728 0.222272843638 0.483676495739} H2 9 1
1 {} {0.65838932819 0.240200361576 0.326307810113} H3 10 1
1 {} {0.704713104573 0.309367628759 0.561571154291} H4 11 1
1 {} {0.150885779318 0.542750117915 0.661929315321} H5 12 1
1 {} {0.361296498438 0.577802129271 0.787068414048} H6 13 1
1 {} {0.348022835527 0.843335190292 0.446560310923} H7 14 1
1 {} {0.467367410779 0.676147329937 0.322109233176} H8 15 1
1 {} {0.591977292294 0.692778910405 0.533381351816} H10 16 1
8 {} {0.363685706529 0.574171172309 0.529503101141} O 17 1
1 {} {0.315473102046 0.794716394049 0.494949435832} 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