./iterations/neb0_image06_iter54.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 {} {0.469935955153 0.220443931235 0.482469966834} O1 1 1
14 {} {0.331510408774 0.227294931961 0.57147637533} Si1 2 1
14 {} {0.594356269924 0.319926998514 0.442563754362} Si2 3 1
8 {} {0.538175076493 0.467936704949 0.405160954693} O2 4 1
8 {} {0.33276898238 0.359025957176 0.670851268126} O3 5 1
14 {} {0.294613423309 0.517635081162 0.683659213283} Si3 6 1
14 {} {0.498119854906 0.619936333734 0.451612962477} Si4 7 1
1 {} {0.329588916077 0.1108892216 0.662506729614} H1 8 1
1 {} {0.213527319584 0.233464460701 0.479667690065} H2 9 1
1 {} {0.658516618822 0.260245513773 0.323730197998} H3 10 1
1 {} {0.69138330535 0.334630846872 0.554722389347} H4 11 1
1 {} {0.145163872339 0.537293316317 0.681357923686} H5 12 1
1 {} {0.348258210148 0.571425002906 0.813198843994} H6 13 1
1 {} {0.36683734725 0.786254916437 0.424219921557} H7 14 1
1 {} {0.504633155208 0.683005708518 0.314518628168} H8 15 1
1 {} {0.598826337743 0.688735508915 0.53718124152} H10 16 1
8 {} {0.365961067852 0.592903996 0.555525742878} O 17 1
1 {} {0.327910000855 0.741469523281 0.476634177287} 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