./iterations/neb0_image04_iter255.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467115694874 0.262503074445 0.49214244452} O1 1 1
14 {} {0.325335362107 0.230193579241 0.568037301696} Si1 2 1
14 {} {0.599002574696 0.348627118849 0.447786974885} Si2 3 1
8 {} {0.557447921355 0.505229008714 0.427843538558} O2 4 1
8 {} {0.283133471059 0.347487411357 0.673707181368} O3 5 1
14 {} {0.240082975883 0.503511312708 0.700147464777} Si3 6 1
14 {} {0.582695382783 0.665509712764 0.400473979071} Si4 7 1
1 {} {0.344039899353 0.105395629677 0.647369572093} H1 8 1
1 {} {0.217967664616 0.214174297239 0.465521444755} H2 9 1
1 {} {0.647882970622 0.29215673546 0.318336705203} H3 10 1
1 {} {0.701221346957 0.338580301369 0.556526884183} H4 11 1
1 {} {0.106973481545 0.507482274377 0.765327032661} H5 12 1
1 {} {0.343113067173 0.563182376587 0.789793130613} H6 13 1
1 {} {0.459448802437 0.739431017246 0.439067543021} H7 14 1
1 {} {0.614281148474 0.688795671741 0.256241480269} H8 15 1
1 {} {0.696556358006 0.716464882069 0.482719552704} H10 16 1
8 {} {0.234611459441 0.579079844586 0.551899749445} O 17 1
1 {} {0.189176368865 0.66471355816 0.548116290902} 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