iterations/neb0_image08_iter175.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 {} {0.471056753607 0.228148532084 0.493011094862} O1 1 1
14 {} {0.33001846965 0.220867244888 0.57679141321} Si1 2 1
14 {} {0.61216491539 0.300115306158 0.450060452295} Si2 3 1
8 {} {0.588776787759 0.458337830832 0.41120925428} O2 4 1
8 {} {0.314163477155 0.347883040766 0.680561822938} O3 5 1
14 {} {0.300654526981 0.511842130953 0.67268755116} Si3 6 1
14 {} {0.512140019448 0.598360732332 0.44986372572} Si4 7 1
1 {} {0.33051626634 0.0969696066816 0.658782999813} H1 8 1
1 {} {0.218277627772 0.221995511411 0.478097655363} H2 9 1
1 {} {0.663089422969 0.230889191106 0.329331454704} H3 10 1
1 {} {0.708153505134 0.290573245783 0.563821071809} H4 11 1
1 {} {0.157403550181 0.549190221611 0.661208346965} H5 12 1
1 {} {0.363493166949 0.567885760718 0.795015479876} H6 13 1
1 {} {0.315773521207 0.895119920392 0.466652107861} H7 14 1
1 {} {0.468772213403 0.665576451063 0.324818107791} H8 15 1
1 {} {0.606154715767 0.683815397414 0.527759923735} H10 16 1
8 {} {0.376930706428 0.569252299129 0.539009023116} O 17 1
1 {} {0.272546609839 0.835695447379 0.452376307398} 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