iterations/neb0_image05_iter296.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 {} {0.467318287707 0.284159366355 0.494162864551} O1 1 1
14 {} {0.324728778709 0.237259784615 0.560206331217} Si1 2 1
14 {} {0.616865437305 0.349774686292 0.475623381806} Si2 3 1
8 {} {0.616190711457 0.505579319971 0.52861157843} O2 4 1
8 {} {0.242759563642 0.366319056384 0.618361667176} O3 5 1
14 {} {0.227782570263 0.527134990177 0.648455624612} Si3 6 1
14 {} {0.57823814621 0.654099671547 0.467756017219} Si4 7 1
1 {} {0.348295376038 0.13755505445 0.669773102761} H1 8 1
1 {} {0.244509746278 0.179840313848 0.45040674459} H2 9 1
1 {} {0.649446486606 0.347805273224 0.328913858868} H3 10 1
1 {} {0.715348871406 0.272287903763 0.556329961397} H4 11 1
1 {} {0.117953340726 0.556601896314 0.74569276922} H5 12 1
1 {} {0.360746568028 0.56560709673 0.700361949654} H6 13 1
1 {} {0.550816930537 0.746651450402 0.581746322648} H7 14 1
1 {} {0.458726695439 0.645876146058 0.378733939778} H8 15 1
1 {} {0.695476222424 0.703010418847 0.38579701654} H10 16 1
8 {} {0.188688380867 0.614579761152 0.514190948987} O 17 1
1 {} {0.206193966936 0.578375979689 0.425934188779} 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