./iterations/neb0_image04_iter49.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468740524872 0.227713019015 0.481893414252} O1 1 1
14 {} {0.331796389335 0.235192225852 0.57152529191} Si1 2 1
14 {} {0.588735451191 0.331147437461 0.438645076185} Si2 3 1
8 {} {0.521921087671 0.476540438148 0.399569707094} O2 4 1
8 {} {0.332379186515 0.370983333492 0.663264482845} O3 5 1
14 {} {0.277197118404 0.519909320185 0.701331300255} Si3 6 1
14 {} {0.520986427319 0.643256212036 0.405219814117} Si4 7 1
1 {} {0.331446272124 0.119473865523 0.664721864526} H1 8 1
1 {} {0.213299432138 0.233064731213 0.480853992275} H2 9 1
1 {} {0.654705799864 0.266442484048 0.323128454034} H3 10 1
1 {} {0.687166622635 0.343782241091 0.54946104004} H4 11 1
1 {} {0.128676421779 0.526511641306 0.703259442782} H5 12 1
1 {} {0.339392327658 0.564071818536 0.82786702876} H6 13 1
1 {} {0.395454242308 0.724095539978 0.400078521148} H7 14 1
1 {} {0.57555894231 0.686586761456 0.272359293188} H8 15 1
1 {} {0.596037467226 0.690567898598 0.525189400855} H10 16 1
8 {} {0.336059615334 0.612051491075 0.577330946556} O 17 1
1 {} {0.310532800466 0.701127508661 0.54535894043} 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