./iterations/neb0_image03_iter186.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459531801614 0.262493849937 0.493471870204} O1 1 1
14 {} {0.324923467337 0.236381615336 0.581949908234} Si1 2 1
14 {} {0.583284688598 0.349678911072 0.431592737133} Si2 3 1
8 {} {0.530036250407 0.493354805963 0.37220449596} O2 4 1
8 {} {0.307393870907 0.350117113048 0.699722797758} O3 5 1
14 {} {0.261555363808 0.503803449784 0.732403323148} Si3 6 1
14 {} {0.558872281642 0.655515855194 0.363669330903} Si4 7 1
1 {} {0.338659568392 0.104569621204 0.648558096672} H1 8 1
1 {} {0.206053306416 0.239595376562 0.492224577144} H2 9 1
1 {} {0.639893089922 0.270506406473 0.319290119961} H3 10 1
1 {} {0.683516609677 0.375240658335 0.539266844348} H4 11 1
1 {} {0.112949798642 0.514840456347 0.729679087852} H5 12 1
1 {} {0.318549125935 0.536576246978 0.86492842468} H6 13 1
1 {} {0.432556936943 0.72573257274 0.325929135923} H7 14 1
1 {} {0.661321498831 0.681278289997 0.257345475956} H8 15 1
1 {} {0.608439130862 0.707865397954 0.494446366567} H10 16 1
8 {} {0.323648391987 0.609978085638 0.62065055806} O 17 1
1 {} {0.258901024838 0.654989342716 0.563724642134} 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