./iterations/neb0_image09_iter163.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47210010371 0.217229400551 0.493873892571} O1 1 1
14 {} {0.333782250925 0.215681713813 0.583103487234} Si1 2 1
14 {} {0.605377942328 0.298505095857 0.444671051682} Si2 3 1
8 {} {0.566838776349 0.452653626878 0.400370434407} O2 4 1
8 {} {0.323734244212 0.349458266798 0.677954625622} O3 5 1
14 {} {0.298933497759 0.512369905654 0.67296964206} Si3 6 1
14 {} {0.509531980702 0.597757459763 0.4518893831} Si4 7 1
1 {} {0.336058608354 0.0967731527007 0.671982007691} H1 8 1
1 {} {0.218477902055 0.213016226116 0.488965933155} H2 9 1
1 {} {0.65948009567 0.229100604305 0.325166338438} H3 10 1
1 {} {0.704326004669 0.302726514961 0.556291007605} H4 11 1
1 {} {0.153790120622 0.54049255019 0.658212760605} H5 12 1
1 {} {0.355027829597 0.56888848698 0.798534364737} H6 13 1
1 {} {0.319959593281 0.901370624398 0.423189445543} H7 14 1
1 {} {0.473456319204 0.677611955134 0.331610566088} H8 15 1
1 {} {0.614457193622 0.665013163571 0.534162464695} H10 16 1
8 {} {0.37413742282 0.578922158459 0.542059787073} O 17 1
1 {} {0.2906162239 0.854947011553 0.476050559082} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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