./iterations/neb0_image06_iter153.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472282695473 0.232551584637 0.483129924581} O1 1 1
14 {} {0.332612328259 0.221985331411 0.568393246613} Si1 2 1
14 {} {0.608771174073 0.316923108854 0.450942507677} Si2 3 1
8 {} {0.571828554688 0.474977898271 0.439689132027} O2 4 1
8 {} {0.306092382406 0.353758363785 0.664336220976} O3 5 1
14 {} {0.283532357615 0.515783654402 0.659394828172} Si3 6 1
14 {} {0.484834566563 0.610693608943 0.44606164659} Si4 7 1
1 {} {0.334290432086 0.105811363639 0.662041028963} H1 8 1
1 {} {0.223516032103 0.212812260776 0.467220458899} H2 9 1
1 {} {0.661585935046 0.279115643823 0.318353545349} H3 10 1
1 {} {0.705263551528 0.303815596296 0.561916506858} H4 11 1
1 {} {0.139236522627 0.538896762603 0.697687523034} H5 12 1
1 {} {0.371965581568 0.587111656966 0.754494060578} H6 13 1
1 {} {0.395966652436 0.814113412627 0.50821681342} H7 14 1
1 {} {0.472285284155 0.660023853656 0.307059545834} H8 15 1
1 {} {0.582406885765 0.699546329868 0.521171153359} H10 16 1
8 {} {0.332069514414 0.570882210903 0.510956279139} O 17 1
1 {} {0.331545514901 0.773715196946 0.509993584474} 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