./iterations/neb0_image02_iter165.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464106022884 0.251688258908 0.489318554195} O1 1 1
14 {} {0.32861024988 0.239660972976 0.58090478745} Si1 2 1
14 {} {0.586524825424 0.342808229952 0.43023715271} Si2 3 1
8 {} {0.529263656304 0.484563021898 0.370504155024} O2 4 1
8 {} {0.319427283369 0.362507855784 0.689006416393} O3 5 1
14 {} {0.252551053624 0.508618622323 0.725202320386} Si3 6 1
14 {} {0.549512689933 0.647886674158 0.363385569352} Si4 7 1
1 {} {0.336313765025 0.11164334048 0.655975768032} H1 8 1
1 {} {0.210701830043 0.242670263218 0.490384909448} H2 9 1
1 {} {0.648769125088 0.266379583132 0.319517275429} H3 10 1
1 {} {0.684579941854 0.371777243762 0.538735298556} H4 11 1
1 {} {0.106348093908 0.491777843862 0.741217573344} H5 12 1
1 {} {0.31966807504 0.557020491339 0.849140023626} H6 13 1
1 {} {0.420506089156 0.711039977598 0.322521124521} H7 14 1
1 {} {0.656384202669 0.682401024119 0.26555613685} H8 15 1
1 {} {0.588639449904 0.70134923706 0.497509088714} H10 16 1
8 {} {0.267974331167 0.617805725608 0.601133080857} O 17 1
1 {} {0.340205400853 0.680919563463 0.600808913545} 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