./iterations/neb0_image08_iter63.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471642607027 0.215957574082 0.487930523037} O1 1 1
14 {} {0.334356628613 0.221042759909 0.577930429829} Si1 2 1
14 {} {0.60179844008 0.30680940355 0.443691934406} Si2 3 1
8 {} {0.556195980765 0.458427464938 0.401924677523} O2 4 1
8 {} {0.331525901768 0.355159987982 0.674062594918} O3 5 1
14 {} {0.297863391515 0.515761729846 0.674819989292} Si3 6 1
14 {} {0.503119875131 0.604667958107 0.453996069787} Si4 7 1
1 {} {0.331786587068 0.102222258656 0.666981775318} H1 8 1
1 {} {0.217185547071 0.224524102095 0.485702610684} H2 9 1
1 {} {0.662611579441 0.243264513218 0.324313885256} H3 10 1
1 {} {0.696649742627 0.318171001944 0.55792621527} H4 11 1
1 {} {0.151379389438 0.537790250211 0.665176182786} H5 12 1
1 {} {0.355134938212 0.573907633983 0.798850328994} H6 13 1
1 {} {0.33315460501 0.836143383088 0.415567763149} H7 14 1
1 {} {0.474417234146 0.683266025488 0.332034065135} H8 15 1
1 {} {0.605783623157 0.670405064658 0.539617599528} H10 16 1
8 {} {0.366308812181 0.587007301929 0.543950544199} O 17 1
1 {} {0.319171239231 0.817989555649 0.486580806524} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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