iterations/neb0_image07_iter267.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.479476577558 0.211506999236 0.501732373376} O1 1 1
14 {} {0.337214574506 0.21121230583 0.585613058085} Si1 2 1
14 {} {0.613169814389 0.293734904907 0.455030367632} Si2 3 1
8 {} {0.581630257081 0.453012195059 0.430211588649} O2 4 1
8 {} {0.314292093859 0.353358936396 0.663859165121} O3 5 1
14 {} {0.290073441532 0.515484381174 0.647181828892} Si3 6 1
14 {} {0.496716264719 0.592573134166 0.430349061024} Si4 7 1
1 {} {0.341737386734 0.105385534064 0.689811648014} H1 8 1
1 {} {0.228249862699 0.188448466432 0.486022825282} H2 9 1
1 {} {0.662016620557 0.235600723986 0.327156497974} H3 10 1
1 {} {0.715702376287 0.28159913864 0.562018421284} H4 11 1
1 {} {0.144018192158 0.541898825173 0.647400888577} H5 12 1
1 {} {0.362804480436 0.583555048206 0.758666400211} H6 13 1
1 {} {0.337905249832 0.926529347097 0.497641110259} H7 14 1
1 {} {0.470643906726 0.636303766833 0.291446534194} H8 15 1
1 {} {0.575313806957 0.693860633066 0.505357526662} H10 16 1
8 {} {0.34979812911 0.569111055447 0.502719912041} O 17 1
1 {} {0.309322762956 0.879342447224 0.548838488552} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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