./iterations/neb0_image03_iter83.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467535915244 0.233922444873 0.482805760292} O1 1 1
14 {} {0.329974205711 0.237204243094 0.572931808593} Si1 2 1
14 {} {0.588407752811 0.334645324436 0.433621404238} Si2 3 1
8 {} {0.526601909971 0.478851012456 0.387379302614} O2 4 1
8 {} {0.325788109607 0.367826253514 0.671540491311} O3 5 1
14 {} {0.271300046085 0.517277997395 0.710398970726} Si3 6 1
14 {} {0.532406405632 0.643958320115 0.385714430233} Si4 7 1
1 {} {0.32829768488 0.115532936055 0.658665044511} H1 8 1
1 {} {0.213687016656 0.239163604267 0.479878114836} H2 9 1
1 {} {0.656610050457 0.269831122522 0.317528301264} H3 10 1
1 {} {0.682540982712 0.353567980946 0.548532327563} H4 11 1
1 {} {0.123509587452 0.513803338416 0.721986958707} H5 12 1
1 {} {0.335987645947 0.55887330944 0.837086256452} H6 13 1
1 {} {0.395784604993 0.698901205539 0.364806057427} H7 14 1
1 {} {0.616404063292 0.687417829349 0.270914411044} H8 15 1
1 {} {0.59374020475 0.694268610308 0.511997078868} H10 16 1
8 {} {0.317414246719 0.616258411245 0.585348576095} O 17 1
1 {} {0.304095678281 0.711214009305 0.589922713325} 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