iterations/neb0_image08_iter113.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 {} {0.471280298585 0.220747494821 0.489562334421} O1 1 1
14 {} {0.332233596529 0.220729414587 0.577276531241} Si1 2 1
14 {} {0.604038268783 0.306424723144 0.445135305143} Si2 3 1
8 {} {0.563892362097 0.459494316018 0.402496953959} O2 4 1
8 {} {0.32675632938 0.351125641986 0.677801956743} O3 5 1
14 {} {0.299634297498 0.51316482935 0.675840757625} Si3 6 1
14 {} {0.506408438962 0.604227906997 0.453697539493} Si4 7 1
1 {} {0.328746463296 0.0985129084606 0.661620552258} H1 8 1
1 {} {0.217049494899 0.22747348077 0.483130915327} H2 9 1
1 {} {0.662854042906 0.241210969388 0.325898199528} H3 10 1
1 {} {0.698908154454 0.313666484306 0.559503078849} H4 11 1
1 {} {0.153726564415 0.539235328873 0.665841874198} H5 12 1
1 {} {0.356625677133 0.56941095071 0.801014677354} H6 13 1
1 {} {0.332638693206 0.854887587163 0.422150448894} H7 14 1
1 {} {0.473717360867 0.681243346485 0.331563188751} H8 15 1
1 {} {0.609030689664 0.673999922976 0.536046615967} H10 16 1
8 {} {0.371832082162 0.580950102853 0.544805138794} O 17 1
1 {} {0.300713349095 0.816012572593 0.477671875468} 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